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 |