3R0J
Structure of PhoP from Mycobacterium tuberculosis
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-12 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9804, 0.9800, 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.228, 138.242, 58.906 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.810 - 2.500 |
R-factor | 0.21344 |
Rwork | 0.212 |
R-free | 0.24515 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.589 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.138 | 0.765 |
Number of reflections | 22929 | |
<I/σ(I)> | 16.6 | 2.78 |
Completeness [%] | 99.3 | 98.3 |
Redundancy | 8.5 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 1.8 M ammonium sulfate, 1.5% PEG 400, 12% 1.2-propanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |