7R6B
Crystal structure of mutant R43D/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 | 2020-03-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.263, 115.893, 127.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.850 - 2.030 |
| R-factor | 0.1724 |
| Rwork | 0.170 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ntx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.993 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.092 | 0.920 |
| Rpim | 0.042 | 0.470 |
| Number of reflections | 47794 | 2370 |
| <I/σ(I)> | 22 | 2.1 |
| Completeness [%] | 98.7 | 99.5 |
| Redundancy | 5.7 | 4.6 |
| CC(1/2) | 0.997 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0.2 M Calcium acetate, 10% (w/v) PEG 8000, 0.1 M Imidazole/ Hydrochloric acid, pH 8.0 |
