6ULA
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 | 2015-05-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.723, 138.888, 177.154 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 37.890 - 2.950 |
| R-factor | 0.2177 |
| Rwork | 0.217 |
| R-free | 0.27920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d3o |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.488 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmeas | 0.185 | |
| Number of reflections | 124737 | 6102 |
| <I/σ(I)> | 9.14 | |
| Completeness [%] | 97.2 | 95.7 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.528 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG6000, 1.0M LiCl, pH 8.0 |
