8BSL
Human GLS in complex with compound 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.993, 139.027, 177.716 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 47.640 - 2.380 |
| R-factor | 0.2105 |
| Rwork | 0.209 |
| R-free | 0.24560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| 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] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.103 | 0.516 |
| Rmeas | 0.126 | 0.633 |
| Rpim | 0.072 | 0.362 |
| Number of reflections | 94211 | 9432 |
| <I/σ(I)> | 7 | 1.9 |
| Completeness [%] | 95.6 | 97.4 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | TRIS 0.1M pH 8.5, MgCl2 0.2M, PEG 3350 11%w/v |
