6SBH
Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide.
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 | 2017-08-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.294, 41.530, 72.165 |
Unit cell angles | 90.00, 104.52, 90.00 |
Refinement procedure
Resolution | 34.930 - 0.950 |
R-factor | 0.1208 |
Rwork | 0.120 |
R-free | 0.13370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.055 |
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] | 41.530 | 1.010 |
High resolution limit [Å] | 0.950 | 0.950 |
Number of reflections | 142312 | 21669 |
<I/σ(I)> | 9.27 | 2.09 |
Completeness [%] | 93.2 | 88.1 |
Redundancy | 3.77 | 3.6 |
CC(1/2) | 0.996 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid |