1ZJ8
Structure of Mycobacterium tuberculosis NirA protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-04 |
Detector | MARRESEARCH |
Wavelength(s) | 1.085 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.257, 115.355, 114.697 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.650 - 2.800 |
R-factor | 0.21866 |
Rwork | 0.215 |
R-free | 0.29203 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gep |
RMSD bond length | 0.013 |
RMSD bond angle | 1.542 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 28218 | |
<I/σ(I)> | 17.7 | 3.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, tris-HCl, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |