6JCL
Crystal structure of cofactor-bound Rv0187 from MTB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-08 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.300, 75.920, 329.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.232 - 1.644 |
R-factor | 0.1821 |
Rwork | 0.181 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jcm |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (0.7.3) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.470 | 1.670 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.148 | 2.442 |
Rmeas | 0.153 | 2.548 |
Rpim | 0.040 | 0.706 |
Number of reflections | 227245 | 10420 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 98.9 | 92.7 |
Redundancy | 14.4 | 12.4 |
CC(1/2) | 0.998 | 0.303 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.22mM Rv0187, 2mM SAH and 2.6mM MgCl2 0.1 M HEPES pH 7.3 70% v/v (+/-)-2-Methyl-2,4-pentanediol 0.1M Strontium chloride hexahydrate |