2XOW
Structure of GlpG in complex with a mechanism-based isocoumarin inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-11 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 110.690, 110.690, 122.151 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.161 - 2.090 |
| R-factor | 0.2004 |
| Rwork | 0.198 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b45 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.119 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.620 | 2.200 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.050 | 0.390 |
| Number of reflections | 16662 | |
| <I/σ(I)> | 16.3 | 2.9 |
| Completeness [%] | 97.0 | 85.4 |
| Redundancy | 4.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2 M AMMONIUM CHLORIDE, 0.1 M BIS-TRIS PH 7.0, 298K |
