2AX2
Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00522 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.149, 41.124, 72.014 |
| Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| Rwork | 0.195 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.396 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 37372 | |
| Completeness [%] | 97.0 | 96.8 |
| Redundancy | 3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 1.15 M sodium citrate, 100 mM Tris-Dl, pH7.8, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
