5DJG
Structure of M. tuberculosis CysQ, a PAP phosphatase with PAP, Mg, and Li 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 | 40.665, 58.060, 101.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.151 - 1.951 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.18580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5djf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.145 |
| Data reduction software | XDS (July 4, 2012) |
| Data scaling software | XSCALE (November 11, 2013) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.151 | 2.000 |
| High resolution limit [Å] | 1.951 | 1.951 |
| Rmerge | 0.071 | 0.265 |
| Number of reflections | 17281 | |
| <I/σ(I)> | 14.44 | 4.43 |
| Completeness [%] | 95.5 | 84.1 |
| Redundancy | 3.39 | 2.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.2 M lithium chloride, 25% PEG8000, 1 mM PAP |
