5DJK
Structure of M. tuberculosis CysQ, a PAP phosphatase with PO4 and 2Ca 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 | 2014-03-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12709 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.257, 58.225, 101.415 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.529 - 1.799 |
| R-factor | 0.1569 |
| Rwork | 0.155 |
| R-free | 0.18960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5djf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.065 |
| Data reduction software | XDS (November 11, 2013) |
| Data scaling software | XSCALE (July 4, 2012) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.529 | 1.838 |
| High resolution limit [Å] | 1.799 | 1.799 |
| Rmerge | 0.053 | 0.446 |
| Number of reflections | 22686 | |
| <I/σ(I)> | 16.89 | 2.87 |
| Completeness [%] | 99.3 | 96.9 |
| Redundancy | 3.54 | 3.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298.15 | 0.05 M calcium chloride, 0.1 M Bis-Tris-HCl, 30% PEG550 MME |
