2ZYQ
Crystal structure of the HsaC extradiol dioxygenase from M. 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 | 2006-06-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.541 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 123.737, 123.737, 106.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1knd |
RMSD bond length | 0.015 |
RMSD bond angle | 1.673 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 2.200 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.094 | 0.458 |
Number of reflections | 56445 | |
<I/σ(I)> | 7.7 | 1.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 14 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 298 | pH 6.80, VAPOR DIFFUSION, SITTING DROP, temperature 298K |