5BQ1
Capturing Carbon Dioxide in beta Carbonic Anhydrase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.978 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 71.874, 78.114, 87.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.166 - 1.600 |
R-factor | 0.1751 |
Rwork | 0.173 |
R-free | 0.19940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.998 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.085 | 0.070 | 0.499 |
Total number of observations | 458548 | ||
Number of reflections | 32600 | ||
<I/σ(I)> | 15.7 | ||
Completeness [%] | 99.3 | 91.6 | 98.3 |
Redundancy | 14.1 | 12.4 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 295 | PEG 200, Tris-HCl |