6ULJ
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 | 49.550, 138.888, 176.993 |
| Unit cell angles | 90.00, 93.91, 90.00 |
Refinement procedure
| Resolution | 36.390 - 2.690 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d3o |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.361 |
| 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] | 2.690 | 2.700 |
| Rmeas | 0.131 | 0.597 |
| Number of reflections | 56593 | 2566 |
| <I/σ(I)> | 15.64 | 2.8 |
| Completeness [%] | 85.8 | 76.4 |
| Redundancy | 3.2 | 2.6 |
| CC(1/2) | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG6000, 1.0M LiCl, pH 8.0 |
