5DJI
Structure of M. tuberculosis CysQ, a PAP phosphatase with AMP, 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 | 40.637, 58.200, 101.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.252 - 1.659 |
| R-factor | 0.1436 |
| Rwork | 0.142 |
| R-free | 0.16840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5djf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.129 |
| 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] | 38.252 | 1.700 |
| High resolution limit [Å] | 1.659 | 1.659 |
| Rmerge | 0.021 | 0.098 |
| Number of reflections | 28723 | |
| <I/σ(I)> | 38.81 | 9.17 |
| Completeness [%] | 98.1 | 84 |
| Redundancy | 3.45 | 2.49 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298.15 | 0.1 M magnesium acetate, 0.1 M Bis-Tris-HCl, 35% PEG550 MME |
