6WYZ
Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase (mutant K173M) in complex with D-Glu at pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 |
| Unit cell lengths | 81.282, 81.282, 176.703 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.610 - 1.700 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pga |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.233 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.610 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.088 | 1.092 |
| Rpim | 0.030 | 0.452 |
| Number of reflections | 142831 | 7101 |
| <I/σ(I)> | 27.4 | 1.9 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 9.5 | 6.4 |
| CC(1/2) | 0.995 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M magnesium chloride, 50 mM Bis-Tris, pH 5.5, 20% w/v PEG3350 |
