6A2R
Mycobacterium tuberculosis LexA C-domain II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-19 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 1.54179 |
Spacegroup name | P 31 |
Unit cell lengths | 74.830, 74.830, 116.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.410 - 2.250 |
R-factor | 0.21932 |
Rwork | 0.218 |
R-free | 0.23822 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IUMU |
RMSD bond length | 0.012 |
RMSD bond angle | 1.443 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.220 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.202 | 0.912 |
Rpim | 0.090 | 0.401 |
Number of reflections | 34497 | 5017 |
<I/σ(I)> | 8.9 | 8.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | |
CC(1/2) | 0.986 | 0.462 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 298 | 100mM Tris-Hcl, 200mM megnesium chloride, 5% glycerol, 25%PEG 3350 |