6UJG
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 | 98.828, 138.840, 177.207 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 34.940 - 3.000 |
| R-factor | 0.2342 |
| Rwork | 0.233 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d3o |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.157 |
| 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 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmeas | 0.293 | |
| Number of reflections | 105300 | 5072 |
| <I/σ(I)> | 6.39 | 0.982 |
| Completeness [%] | 98.5 | 95.8 |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG6000, 1.0M LiCl, pH8.0 |
