7R6A
Crystal structure of mutant L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis
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 | 2020-06-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.121, 98.911, 180.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.880 - 1.890 |
| R-factor | 0.1576 |
| Rwork | 0.157 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ntx |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.104 |
| 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] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.088 | 0.718 |
| Rpim | 0.035 | 0.311 |
| Number of reflections | 113101 | 5625 |
| <I/σ(I)> | 22.8 | 2.2 |
| Completeness [%] | 99.1 | 99.9 |
| Redundancy | 7.2 | 6.1 |
| CC(1/2) | 0.997 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 3.5 M Sodium formate, pH 7.0 |
