3WEW
Crystal structure of HtdX (Rv0241c) of Mycobacterium tuberculosis at 2.4 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2013-06-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | I 41 |
Unit cell lengths | 61.504, 61.504, 143.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.490 - 2.400 |
R-factor | 0.16795 |
Rwork | 0.165 |
R-free | 0.23037 |
Structure solution method | MIRAS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.655 |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHARP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.552 | 19.486 | 2.430 |
High resolution limit [Å] | 2.300 | 7.280 | 2.300 |
Rmerge | 0.022 | 0.697 | |
Number of reflections | 11816 | ||
<I/σ(I)> | 30.5 | 29 | 1.1 |
Completeness [%] | 99.8 | 95.1 | 99.6 |
Redundancy | 15.2 | 15 | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | 3M NaCl, 0.1M HEPES pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |