6SAY
Human Carbonic Anhydrase II in complex with fragment.
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 | 2016-10-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.390, 41.508, 72.214 |
Unit cell angles | 90.00, 104.68, 90.00 |
Refinement procedure
Resolution | 34.930 - 0.950 |
R-factor | 0.1228 |
Rwork | 0.122 |
R-free | 0.13760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.973 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.508 | 1.010 |
High resolution limit [Å] | 0.950 | 0.950 |
Number of reflections | 146380 | 21821 |
<I/σ(I)> | 11.39 | 1.97 |
Completeness [%] | 96.5 | 89.1 |
Redundancy | 3.52 | 2.95 |
CC(1/2) | 0.999 | 0.795 |
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 |