7R69
Crystal structure of mutant R43D/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 | 2020-07-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.979, 162.980, 73.260 |
| Unit cell angles | 90.00, 110.39, 90.00 |
Refinement procedure
| Resolution | 41.120 - 1.800 |
| R-factor | 0.1673 |
| Rwork | 0.167 |
| R-free | 0.19630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ntx |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.996 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.535 |
| Rpim | 0.032 | 0.313 |
| Number of reflections | 133825 | 6515 |
| <I/σ(I)> | 21.8 | 1.8 |
| Completeness [%] | 98.5 | 95.6 |
| Redundancy | 3.9 | 3.7 |
| CC(1/2) | 0.998 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0.2 M Ammonium chloride, 0.1 M Tris, pH 8.0, 20% (w/v) PEG 6000 |
