6RMP
Human Carbonic Anhydrase II in complex with fragment.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.7999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.405, 41.547, 72.075 |
Unit cell angles | 90.00, 104.65, 90.00 |
Refinement procedure
Resolution | 34.865 - 1.220 |
R-factor | 0.133 |
Rwork | 0.132 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.989 |
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] | 41.547 | 1.290 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 72050 | 11150 |
<I/σ(I)> | 10.17 | 2.36 |
Completeness [%] | 98.6 | 94.8 |
Redundancy | 3.72 | 3.72 |
CC(1/2) | 0.998 | 0.853 |
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 |