4WAK
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-10-23 |
| Detector | OXFORD RUBY CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 48.330, 144.671, 129.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.500 - 2.490 |
| R-factor | 0.18893 |
| Rwork | 0.185 |
| R-free | 0.25376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8d |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.589 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 2.590 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.488 | |
| Number of reflections | 16109 | |
| <I/σ(I)> | 15.1 | 1.5 |
| Completeness [%] | 98.5 | 99.6 |
| Redundancy | 9.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.15 M sodium potassium phosphate, 10 mg/mL protein |
