1TXO
Crystal structure of the Mycobacterium tuberculosis serine/threonine phosphatase PstP/Ppp at 1.95 A.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.12714, 0.97960, 0.95373, 1.8926 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.638, 58.757, 73.815 |
Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
Resolution | 72.550 - 1.950 |
R-factor | 0.20057 |
Rwork | 0.199 |
R-free | 0.23025 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.076 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.550 | |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.044 | 0.352 |
Number of reflections | 38658 | |
<I/σ(I)> | 18.3 | 1.9 |
Completeness [%] | 98.0 | 98.1 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | PEG 10,000, sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |