3ZP4
Arg90Cit chorismate mutase of Bacillus subtilis in complex with a transition state analog
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 | 2011-10-02 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.208, 50.842, 69.821 |
| Unit cell angles | 97.36, 93.18, 100.99 |
Refinement procedure
| Resolution | 43.167 - 1.798 |
| R-factor | 0.1815 |
| Rwork | 0.179 |
| R-free | 0.23120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dbf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.051 |
| 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] | 49.120 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.020 | 0.130 |
| Number of reflections | 53585 | |
| <I/σ(I)> | 23.3 | 5 |
| Completeness [%] | 86.1 | 61.8 |
| Redundancy | 1.9 | 1.8 |
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, 24% W/V PEG 1000 |
