2ILI
Refine atomic structure of human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00522 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.212, 41.291, 72.154 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.050 |
| R-factor | 0.12 |
| Rwork | 0.120 |
| R-free | 0.15100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Number of reflections | 98392 | |
| Completeness [%] | 87.6 | 42.5 |
| Redundancy | 3.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 100 mM tris-Cl, 1.15 M sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
