3E2A
H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-04-13 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 230.606, 145.512, 53.234 |
Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
Resolution | 24.780 - 2.301 |
R-factor | 0.205 |
Rwork | 0.201 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a8d |
RMSD bond length | 0.011 |
RMSD bond angle | 1.233 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.380 |
High resolution limit [Å] | 2.301 | 2.301 |
Rmerge | 0.065 | 0.343 |
Number of reflections | 77406 | |
<I/σ(I)> | 18.8 | 3.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 3.53 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M Hepes, 1.5 M ammonium sulfate, 4% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |