2NXT
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.326, 41.362, 72.274 |
| Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.150 |
| R-factor | 0.161 |
| Rwork | 0.161 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond angle | 1.350 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 85073 | |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 4.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 100 mM Tris-Cl pH 9, 1.2 M sodium citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
