1YM3
Crystal Structure of carbonic anhydrase RV3588c from Mycobacterium tuberculosis
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 | IMAGE PLATE |
Collection date | 2004-05-02 |
Detector | MARRESEARCH |
Wavelength(s) | 1.085 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.377, 56.377, 104.192 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.200 - 1.750 |
R-factor | 0.18134 |
Rwork | 0.179 |
R-free | 0.22946 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1I6O and 1DDZ |
RMSD bond length | 0.016 |
RMSD bond angle | 1.484 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.200 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 13934 | |
<I/σ(I)> | 23.35 | 5 |
Completeness [%] | 83.3 | 80.1 |
Redundancy | 4.7 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | MgCl2, PEG 400, HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |