3ZEB
A complex of GlpG with isocoumarin inhibitor covalently bonded to serine 201 and histidine 150
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 111.109, 111.109, 126.067 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.990 - 2.200 |
| R-factor | 0.21552 |
| Rwork | 0.214 |
| R-free | 0.24703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xov |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.091 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.950 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.480 |
| Number of reflections | 15318 | |
| <I/σ(I)> | 13.5 | 3.1 |
| Completeness [%] | 99.6 | 98.1 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2M AMMONIUM CHLORIDE, 0.1 M BIS-TRIS PH7.0, 298K |
