5YUJ
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Replaces: 5DSJExperimental 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 | 2008-12-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.258, 41.294, 72.094 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 23.840 - 1.250 |
| R-factor | 0.10128 |
| Rwork | 0.100 |
| R-free | 0.12957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d92 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.019 |
| 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 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 62938 | |
| <I/σ(I)> | 34.3 | 2.5 |
| Completeness [%] | 98.8 | 86 |
| Redundancy | 6.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.3M sodium citrate, 100mM TrisHCl pH 7.8 |
