6SFU
Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.885 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.447, 41.620, 72.401 |
Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
Resolution | 29.240 - 1.040 |
R-factor | 0.1261 |
Rwork | 0.126 |
R-free | 0.13830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.932 |
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] | 41.620 | 1.100 |
High resolution limit [Å] | 1.039 | 1.040 |
Number of reflections | 117443 | 18662 |
<I/σ(I)> | 14.18 | 3.12 |
Completeness [%] | 99.6 | 98.4 |
Redundancy | 7.02 | |
CC(1/2) | 0.999 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid |