6PZJ
Structure of the N-terminal domain (residues 43-304) of Methyl-accepting chemotaxis protein from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Copenhageni (strain Fiocruz L1-130)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-18 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 72.090, 72.090, 116.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.416 - 1.750 |
| R-factor | 0.1677 |
| Rwork | 0.165 |
| R-free | 0.20530 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.932 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_3500)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.416 | 38.416 | 1.800 |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.046 | 0.023 | 0.599 |
| Rmeas | 0.048 | 0.024 | 0.641 |
| Total number of observations | 366117 | ||
| Number of reflections | 31892 | 440 | 2319 |
| <I/σ(I)> | 30.66 | 69.12 | 3.18 |
| Completeness [%] | 100.0 | 98 | 100 |
| Redundancy | 11.48 | 9.248 | 7.958 |
| CC(1/2) | 1.000 | 1.000 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 290 | RigakuReagents JCSG+ screen A7: 20% (w/V) PEG 8000, 100mM CHES / NaOH pH 9.5: LpinA.18975.a.B2.PW38653 at 19.51mg/ml: cryo: 20% EG in 2 steps: tray 310977 a7: puck hqx5-3. For phasing: Microlytic MCSG1 screen condition H3: 20% (w/V) PEG 3350, 200mM Lithium acetate: LpinA.18975.a.B2.PW38653 at 19.51mg/ml. A crystal from this condition was soaked for 15sec in a mix of 90% reservoir and 10% 2.5M NaI in EG, and for another 15sec in a mix of 80% reservoir and 20% 2.5M NaI in EG, and flash frozen for in-house data collection: tray 310978 h3: puck hqx5-12 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 290 | RigakuReagents JCSG+ screen A7: 20% (w/V) PEG 8000, 100mM CHES / NaOH pH 9.5: LpinA.18975.a.B2.PW38653 at 19.51mg/ml: cryo: 20% EG in 2 steps: tray 310977 a7: puck hqx5-3. For phasing: Microlytic MCSG1 screen condition H3: 20% (w/V) PEG 3350, 200mM Lithium acetate: LpinA.18975.a.B2.PW38653 at 19.51mg/ml. A crystal from this condition was soaked for 15sec in a mix of 90% reservoir and 10% 2.5M NaI in EG, and for another 15sec in a mix of 80% reservoir and 20% 2.5M NaI in EG, and flash frozen for in-house data collection: tray 310978 h3: puck hqx5-12 |
