8BSM
Human GLS in complex with compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 139.928, 139.928, 156.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.010 - 2.782 |
| R-factor | 0.2026 |
| Rwork | 0.202 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.810 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.000 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.116 | 0.608 |
| Rmeas | 0.122 | 0.679 |
| Rpim | 0.038 | 0.214 |
| Number of reflections | 19775 | 4025 |
| <I/σ(I)> | 14.2 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.8M Lithium sulphate 0.1M BisTris pH 6.5 |
