6UME
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 21 21 21 |
| Unit cell lengths | 100.872, 139.088, 178.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.460 - 2.900 |
| R-factor | 0.2288 |
| Rwork | 0.227 |
| R-free | 0.28870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d3o |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.473 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmeas | 0.179 | |
| Number of reflections | 121885 | 5554 |
| <I/σ(I)> | 8.89 | 1.05 |
| Completeness [%] | 99.2 | 91.2 |
| Redundancy | 3.7 | 3.1 |
| CC(1/2) | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG6000, 1.0 M LiCl pH8.0 |
