4WPU
Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-05-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.636, 122.715, 63.861 |
| Unit cell angles | 90.00, 116.61, 90.00 |
Refinement procedure
| Resolution | 37.480 - 2.260 |
| R-factor | 0.166 |
| Rwork | 0.162 |
| R-free | 0.22600 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| Data reduction software | HKL-2000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.121 | 0.508 |
| Number of reflections | 33630 | |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 99.4 | 89.9 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10-16% (w/v) PEG 3350, 0.2 M KH2PO4 |
