6WFM
Crystal structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (murA) from Stenotrophomonas maltophilia K279a
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 | 2020-02-13 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.740, 136.950, 155.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.230 - 1.950 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.21810 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.835 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.18rc4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.230 | 37.230 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.051 | 0.035 | 0.595 |
| Rmeas | 0.056 | 0.039 | 0.649 |
| Total number of observations | 408609 | ||
| Number of reflections | 66158 | 793 | 4848 |
| <I/σ(I)> | 18.03 | 37.62 | 2.61 |
| Completeness [%] | 99.8 | 95.8 | 100 |
| Redundancy | 6.176 | 5.23 | 6.261 |
| CC(1/2) | 0.999 | 0.998 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Microlytic MCSG-1 screen, condition g7: 25% (w/V) PEG 3350, 100mM Tris base / HCl pH 8.5: StmaA.00952.a.B1.PW38746 (labelled as StmaA.01067.a.B1.PW38746) at 9mg/ml: tray 314074g7: cryo: 15% EG: puck qvy9-5. For phasing, a crystal from the same condition was incubated for 20sec in a mix of 90% reservoir and 10% 2.5M NaI in EG, followed by a soak for 20sec in a mix of 80% reservoir and 20% NaI in EG. cryo: 20% EG + 500mM NaI: puck ynn3-13 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Microlytic MCSG-1 screen, condition g7: 25% (w/V) PEG 3350, 100mM Tris base / HCl pH 8.5: StmaA.00952.a.B1.PW38746 (labelled as StmaA.01067.a.B1.PW38746) at 9mg/ml: tray 314074g7: cryo: 15% EG: puck qvy9-5. For phasing, a crystal from the same condition was incubated for 20sec in a mix of 90% reservoir and 10% 2.5M NaI in EG, followed by a soak for 20sec in a mix of 80% reservoir and 20% NaI in EG. cryo: 20% EG + 500mM NaI: puck ynn3-13 |
