3HS4
Human carbonic anhydrase II complexed with acetazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.252, 41.097, 71.820 |
| Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.100 |
| R-factor | 0.113 |
| Rwork | 0.112 |
| R-free | 0.14000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ili |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.073 | 0.303 |
| Number of reflections | 92557 | |
| <I/σ(I)> | 13.8 | 3.3 |
| Completeness [%] | 93.6 | 81 |
| Redundancy | 2.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 1.3 M Sodium citrate, 100 mM Tris-HCl pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
