5ZXW
Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-17 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.102, 41.323, 72.130 |
Unit cell angles | 90.00, 104.19, 90.00 |
Refinement procedure
Resolution | 34.965 - 1.316 |
R-factor | 0.1722 |
Rwork | 0.171 |
R-free | 0.19820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eh7 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX (1.13_2998: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.320 | 41.320 | 1.300 |
High resolution limit [Å] | 1.280 | 6.990 | 1.280 |
Rmerge | 0.061 | 0.044 | 1.103 |
Rmeas | 0.072 | 0.053 | 1.327 |
Rpim | 0.038 | 0.030 | 0.726 |
Total number of observations | 204824 | ||
Number of reflections | 58025 | 393 | 2345 |
<I/σ(I)> | 10.4 | ||
Completeness [%] | 92.8 | 94.2 | 76.9 |
Redundancy | 3.5 | 2.8 | 3.1 |
CC(1/2) | 0.998 | 0.996 | 0.436 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 281 | 2.7M ammonium sulfate |