2ILI
Refine atomic structure of human carbonic anhydrase II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00522 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.212, 41.291, 72.154 |
Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.050 |
R-factor | 0.12 |
Rwork | 0.120 |
R-free | 0.15100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tbt |
RMSD bond length | 0.004 |
RMSD bond angle | 1.400 |
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 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Number of reflections | 98392 | |
Completeness [%] | 87.6 | 42.5 |
Redundancy | 3.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 100 mM tris-Cl, 1.15 M sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |