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 |