7U5W
Crystal Structure Analysis of human Carbonic anhydrase 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.160, 71.460, 73.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.610 - 1.130 |
R-factor | 0.1583 |
Rwork | 0.157 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s73 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.610 | 36.630 | 1.150 |
High resolution limit [Å] | 1.130 | 3.070 | 1.130 |
Rmeas | 0.052 | 0.027 | 0.949 |
Rpim | 0.026 | 0.014 | 0.609 |
Total number of observations | 276676 | 15462 | 5653 |
Number of reflections | 81942 | 4270 | 3283 |
<I/σ(I)> | 12.3 | 44.5 | 1 |
Completeness [%] | 97.4 | 95.2 | 79.4 |
Redundancy | 3.4 | 3.6 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0% PEG1000 and 0.1M Tris pH 8.0 |