5YUI
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Replaces: 5DSIExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.281, 41.450, 72.105 |
Unit cell angles | 90.00, 104.14, 90.00 |
Refinement procedure
Resolution | 26.720 - 1.200 |
R-factor | 0.10614 |
Rwork | 0.105 |
R-free | 0.13395 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d92 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.982 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 69247 | |
<I/σ(I)> | 30.4 | 1.9 |
Completeness [%] | 96.0 | 65.8 |
Redundancy | 6.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.3M sodium citrate, 100mM TrisHCl pH 7.8 |