7CQN
GmaS in complex with AMPPCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 110.917, 176.701, 191.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.493 - 1.962 |
| R-factor | 0.1689 |
| Rwork | 0.167 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cql |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.063 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
| High resolution limit [Å] | 1.960 | 5.320 | 1.960 |
| Rmerge | 0.080 | 0.039 | 0.405 |
| Rmeas | 0.090 | 0.043 | 0.483 |
| Rpim | 0.040 | 0.017 | 0.257 |
| Total number of observations | 600254 | ||
| Number of reflections | 131664 | 7035 | 5864 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 98.1 | 99.9 | 87.7 |
| Redundancy | 4.6 | 6.1 | 2.9 |
| CC(1/2) | 0.995 | 0.845 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M HEPES (pH 7.5), 0.2 M ammonium acetate and 25% (v/v) isopropanol |
