6QL2
Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.975522 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.136, 41.309, 71.368 |
Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
Resolution | 39.700 - 1.300 |
R-factor | 0.1227 |
Rwork | 0.119 |
R-free | 0.15730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ht0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.991 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.845 | 40.845 | 1.370 |
High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
Rmerge | 0.059 | 0.334 | |
Rmeas | 0.079 | 0.068 | 0.389 |
Rpim | 0.030 | 0.026 | 0.145 |
Total number of observations | 389087 | ||
Number of reflections | 56403 | ||
<I/σ(I)> | 13.1 | 8.4 | 2 |
Completeness [%] | 96.4 | 97.4 | 94.5 |
Redundancy | 6.9 | 6.6 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | Crystallization buffer was 0.1M sodium BICINE (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7) |