6UMF
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 1 21 1 |
Unit cell lengths | 49.729, 138.977, 177.025 |
Unit cell angles | 90.00, 93.91, 90.00 |
Refinement procedure
Resolution | 48.640 - 2.680 |
R-factor | 0.2193 |
Rwork | 0.217 |
R-free | 0.27940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d3o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.348 |
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 | 2.750 |
High resolution limit [Å] | 2.680 | 2.700 |
Number of reflections | 63034 | 2581 |
<I/σ(I)> | 4.08 | 0.45 |
Completeness [%] | 93.6 | 77.3 |
Redundancy | 5.2 | 4.4 |
CC(1/2) | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG6000, 1.0 M LiCl, pH 8.0 |