6LDZ
Crystal structure of Rv0222 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97854 |
Spacegroup name | I 2 3 |
Unit cell lengths | 120.626, 120.626, 120.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.648 - 2.400 |
R-factor | 0.1792 |
Rwork | 0.176 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qxi |
RMSD bond length | 0.008 |
RMSD bond angle | 0.792 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.295 | 42.648 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.023 | 0.650 | |
Rmeas | 0.098 | 0.024 | 0.667 |
Rpim | 0.022 | 0.005 | 0.148 |
Total number of observations | 231881 | 7261 | 34160 |
Number of reflections | 11608 | 401 | 1708 |
<I/σ(I)> | 28.1 | 89.9 | 5.5 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 20 | 18.1 | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 3.5 M Sodium formate, pH7.0 |