2GKM
Crystal structure of Mycobacterium tuberculosis trHbN TyrB10Phe mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-13 |
Wavelength(s) | 0.843 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.278, 61.932, 90.291 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.100 - 1.731 |
R-factor | 0.19466 |
Rwork | 0.193 |
R-free | 0.23317 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.247 |
Data reduction software | MOSFLM |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.100 | 1.810 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.036 | 0.193 |
Number of reflections | 27177 | |
<I/σ(I)> | 6.9 | |
Completeness [%] | 97.1 | 82 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 277 | sodium dihydrogen phosphate + di-potassium hydrogen phosphate 1.8 M, pH 7.8, VAPOR DIFFUSION, temperature 277K |