6RL9
Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.431, 41.387, 72.304 |
Unit cell angles | 90.00, 104.71, 90.00 |
Refinement procedure
Resolution | 32.022 - 1.000 |
R-factor | 0.119 |
Rwork | 0.118 |
R-free | 0.12960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.040 | 1.060 |
High resolution limit [Å] | 1.000 | 1.000 |
Number of reflections | 130686 | 20986 |
<I/σ(I)> | 9.46 | 2.09 |
Completeness [%] | 99.6 | 99.2 |
Redundancy | 3.58 | 3.34 |
CC(1/2) | 0.997 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.7, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid |