6RH4
Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide.
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 | 2018-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.438, 41.522, 72.273 |
Unit cell angles | 90.00, 104.74, 90.00 |
Refinement procedure
Resolution | 41.042 - 0.948 |
R-factor | 0.1036 |
Rwork | 0.103 |
R-free | 0.11700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.070 |
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] | 41.522 | 1.010 |
High resolution limit [Å] | 0.948 | 0.950 |
Number of reflections | 148154 | 22694 |
<I/σ(I)> | 12.65 | 3.25 |
Completeness [%] | 96.3 | 91.5 |
Redundancy | 3.5 | 3.16 |
CC(1/2) | 0.998 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.40 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid |