5DSQ
Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.047, 41.137, 71.771 |
Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
Resolution | 28.950 - 1.500 |
R-factor | 0.1097 |
Rwork | 0.107 |
R-free | 0.15140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d93 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.779 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 38500 | |
<I/σ(I)> | 28.5 | 3.2 |
Completeness [%] | 98.7 | 97.3 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.3 M sodium citrate 100 mM TrisHCl pH 7.8 |