3E31
H. influenzae beta-carbonic anhydrase, variant V47A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.974 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.277, 82.277, 188.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.720 - 2.950 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8d |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.588 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.770 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.082 | 0.493 |
| Number of reflections | 14391 | |
| <I/σ(I)> | 34.2 | 5.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 16.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M HEPES, 0.7 sodium potassium tartrate, 12 mg/mL protein, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
