5DJJ
Structure of M. tuberculosis CysQ, a PAP phosphatase with PO4 and 2Mg bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12709 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.050, 57.832, 101.643 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.925 - 1.501 |
R-factor | 0.1572 |
Rwork | 0.156 |
R-free | 0.17550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5djf |
RMSD bond length | 0.010 |
RMSD bond angle | 1.332 |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.925 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.035 | 0.398 |
Number of reflections | 38026 | |
<I/σ(I)> | 20.44 | 3.12 |
Completeness [%] | 98.6 | 96.1 |
Redundancy | 3.53 | 3.42 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298.15 | 0.1 M magnesium acetate, 35% PEG550 MME, 0.1 M Bis-Tris-HCl |