5I67
Crystal Structure Analysis of MTB PEPCK mutant C273S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-02-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.721, 124.598, 121.302 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.460 - 2.602 |
| R-factor | 0.19977 |
| Rwork | 0.197 |
| R-free | 0.24419 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4r43 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.312 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | 2.730 |
| High resolution limit [Å] | 2.602 | 2.602 |
| Rmerge | 0.079 | 0.260 |
| Number of reflections | 24105 | |
| <I/σ(I)> | 16.4 | 1.95 |
| Completeness [%] | 98.6 | 93.8 |
| Redundancy | 2.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 0.1M Sodium acetate pH 4.6, 30% PEG 300 |
