4WAJ
H. influenzae beta-carbonic anhydase variant P48S/A49P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-08-13 |
| Detector | OXFORD RUBY CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.777, 82.777, 186.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.660 - 2.700 |
| R-factor | 0.16414 |
| Rwork | 0.161 |
| R-free | 0.23197 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8d |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.701 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.660 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.356 | |
| Number of reflections | 18148 | |
| <I/σ(I)> | 19.3 | 2.1 |
| Completeness [%] | 97.9 | 99.3 |
| Redundancy | 5.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 1.5 M ammonium sulfate, 5% DMSO, 0.1 M MES |
