2WP4
crystal structure of Rv3119 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-31 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.464, 64.353, 91.928 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.820 - 2.490 |
R-factor | 0.20236 |
Rwork | 0.200 |
R-free | 0.24694 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q5w |
RMSD bond length | 0.009 |
RMSD bond angle | 1.106 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.380 |
Number of reflections | 13457 | |
<I/σ(I)> | 37.2 | 3.4 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.8 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 30% MPD, 0.1 M ACETATE PH 4.6, 0.02 M CALCIUM CHLORIDE |