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 |
