5GMM
Crystal structure of human Carbonic anhydrase I in complex with polmacoxib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.265, 87.953, 142.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.023 - 2.003 |
R-factor | 0.1777 |
Rwork | 0.175 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nmx |
RMSD bond length | 0.007 |
RMSD bond angle | 1.466 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Number of reflections | 39428 |
<I/σ(I)> | 17.1 |
Completeness [%] | 98.6 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M HEPES pH 6.7~8.2, 0.5~1.4 M tri-Na citrate. |