6QQM
Crystal structure of the alpha carbonic anhydrase from Schistosoma mansoni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0399 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 103.040, 103.040, 132.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.600 - 1.750 |
R-factor | 0.1718 |
Rwork | 0.170 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pxx |
RMSD bond length | 0.021 |
RMSD bond angle | 2.383 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.240 | 39.600 | 1.810 |
High resolution limit [Å] | 1.700 | 5.090 | 1.700 |
Rmerge | 0.110 | 0.075 | 1.928 |
Rmeas | 0.114 | 0.079 | 2.009 |
Number of reflections | 89134 | 3593 | 14161 |
<I/σ(I)> | 12 | 28.95 | 1 |
Completeness [%] | 98.7 | 99.8 | 92.5 |
Redundancy | 13.6 | 13.189 | 12.462 |
CC(1/2) | 0.997 | 0.606 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 20% PEG 3350, 0.2 M Potassium nitrate |