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 |