5X7Z
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID
Replaces: 5HSLExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 86.810, 86.870, 43.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.454 - 2.200 |
R-factor | 0.2095 |
Rwork | 0.205 |
R-free | 0.24830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hsm |
RMSD bond length | 0.011 |
RMSD bond angle | 0.995 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.454 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.117 | 0.821 |
Rpim | 0.050 | 0.331 |
Number of reflections | 8664 | 1245 |
<I/σ(I)> | 11 | 3.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.999 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 289 | 0.1M CITRIC ACID, PH 3.5, 2.0M AMMONIUM SULFATE |