5DSM
Structure of CO2 released holo-form of human carbonic anhydrase II with 25 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 | 42.211, 41.260, 72.066 |
Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
Resolution | 23.290 - 1.300 |
R-factor | 0.11361 |
Rwork | 0.112 |
R-free | 0.14001 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d92 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.834 |
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 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 59248 | |
<I/σ(I)> | 31.9 | 3.8 |
Completeness [%] | 98.3 | 96.2 |
Redundancy | 7.3 | 6 |
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 |