6UMD
Crystal structure of human GAC in complex with inhibitor UPGL00012
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.477, 139.161, 178.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.230 - 2.700 |
R-factor | 0.2292 |
Rwork | 0.228 |
R-free | 0.28760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d3o |
RMSD bond length | 0.012 |
RMSD bond angle | 1.626 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.144 | |
Number of reflections | 85958 | 3800 |
<I/σ(I)> | 15.72 | 1.59 |
Completeness [%] | 98.2 | 88.6 |
Redundancy | 6.8 | 6 |
CC(1/2) | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG6000, 1.0 M LiCl pH 8.0 |