4JSW
Human carbonic anhydrase II H94C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-10 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5478 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.596, 41.086, 71.957 |
Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
Resolution | 40.420 - 1.900 |
R-factor | 0.22255 |
Rwork | 0.219 |
R-free | 0.28156 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.917 |
Data reduction software | APEX |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.420 | 1.949 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 17839 | |
Completeness [%] | 99.6 | 97.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 3.0 M ammonium sulfate, 50 mM HEPES, 1 mM DTT, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |