3ZP7
Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.245, 51.307, 70.138 |
| Unit cell angles | 97.51, 92.91, 101.11 |
Refinement procedure
| Resolution | 37.964 - 1.698 |
| R-factor | 0.1677 |
| Rwork | 0.165 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dbf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.043 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.150 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.030 | 0.170 |
| Number of reflections | 70311 | |
| <I/σ(I)> | 15.5 | 4.3 |
| Completeness [%] | 93.7 | 92.8 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 100 MM MMT BUFFER ---MALIC ACID, MES, TRIS, IN MOLAR RATIOS OF 1:2:2, RESPECTIVELY--- PH 6.0, 125 MM CALCIUM CHLORIDE, 25% W/V PEG 1000 |
