2A5V
Crystal structure of M. tuberculosis beta carbonic anhydrase, Rv3588c, tetrameric form
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 | 2004-10-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.094 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.884, 70.302, 84.361 |
| Unit cell angles | 90.00, 93.41, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.16453 |
| Rwork | 0.162 |
| R-free | 0.21419 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ym3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.367 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (V. 1.2) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 38347 | |
| <I/σ(I)> | 20.1 | 2.69 |
| Completeness [%] | 97.7 | |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG3350, NaSCN, Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
