3TG2
Crystal structure of the ISC domain of VibB in complex with isochorismate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 55.584, 55.584, 119.792 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.210 - 1.101 |
| R-factor | 0.1276 |
| Rwork | 0.127 |
| R-free | 0.14440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tb4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.412 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.069 | 0.528 |
| Number of reflections | 87374 | |
| <I/σ(I)> | 44 | 2.2 |
| Completeness [%] | 99.7 | 95 |
| Redundancy | 15.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 50mM CaCl2, 0.1M Bis-Tris pH 6.5, 28% PEG MME 500, 40mM MgCl2, 2.4mM chorismate, 0.02mg/ml EntC (isochrismate synthase from Escherichia coli O157) , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
