5Y2R
2.5 atm CO2-pressurized human carbonic anhydrase II
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 | 2011-03-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.279, 41.406, 72.109 |
| Unit cell angles | 90.00, 104.16, 90.00 |
Refinement procedure
| Resolution | 17.480 - 1.000 |
| R-factor | 0.11494 |
| Rwork | 0.114 |
| R-free | 0.13095 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d92 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.206 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 122146 | |
| <I/σ(I)> | 25.1 | 3 |
| Completeness [%] | 98.6 | 96.3 |
| Redundancy | 7.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.3 M sodium citrate 100 mM TrisHCl pH 7.8 |
