4R43
Crystal Structure Analysis of MTB PEPCK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Detector technology | PIXEL |
| Collection date | 2013-12-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979402 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.358, 124.696, 121.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.550 - 1.800 |
| R-factor | 0.2088 |
| Rwork | 0.207 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dtb |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.946 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.550 | 2.290 | |
| High resolution limit [Å] | 1.800 | 6.410 | 2.160 |
| Rmerge | 0.053 | 0.038 | 0.326 |
| Number of reflections | 72592 | 1734 | 6727 |
| <I/σ(I)> | 24.24 | 43.67 | 10.05 |
| Completeness [%] | 99.7 | 99.1 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M sodium acetate pH 4.6,30% PEG 300 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
