4OOB
Crystal structure of HtdX(Rv0241c) from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-10-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.001, 64.001, 139.941 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.450 - 2.300 |
R-factor | 0.2069 |
Rwork | 0.204 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.898 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.203 | 19.442 | 2.420 |
High resolution limit [Å] | 2.298 | 7.270 | 2.300 |
Rmerge | 0.030 | 0.495 | |
Rpim | 0.006 | 0.092 | |
Total number of observations | 11695 | 53456 | |
Number of reflections | 13436 | ||
<I/σ(I)> | 36.6 | 94 | 9.7 |
Completeness [%] | 99.0 | 94.8 | 98 |
Redundancy | 28.2 | 23.9 | 28.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.5M NaCl, 0.1M Tris-HCl, 20%(W/V) PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |