6KM2
Human Carbonic Anhydrase II V143I variant 15 atm CO2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-30 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.296, 41.458, 72.083 |
Unit cell angles | 90.00, 104.16, 90.00 |
Refinement procedure
Resolution | 29.156 - 0.900 |
Rwork | 0.110 |
R-free | 0.12220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u7c |
RMSD bond length | 0.030 |
RMSD bond angle | 2.568 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0124 2015/06/02) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.920 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.083 | 0.653 |
Number of reflections | 171362 | 7147 |
<I/σ(I)> | 20.63 | 1.75 |
Completeness [%] | 95.7 | |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.3 M sodium citrate, 100 mM Tris-HCl |