4BZX
Structure of the Mycobacterium tuberculosis APS kinase CysC in complex with AMPPNP and APS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Collection date | 2011-04-11 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.820, 69.430, 79.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.260 - 1.700 |
| R-factor | 0.17619 |
| Rwork | 0.174 |
| R-free | 0.21599 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzp |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.032 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.740 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.520 |
| Number of reflections | 38074 | |
| <I/σ(I)> | 11.3 | 2.3 |
| Completeness [%] | 96.6 | 83.3 |
| Redundancy | 4.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M CITRATE, PH 5.3 20% PEG4, 10% 2- PROPANOL, 1.9 MM APS, 2.3 MM AMPPNP, 1.8 MM MGCL2 |
