5JXZ
A low magnesium structure of the isochorismate synthase, EntC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.100 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 80.205, 80.205, 272.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.487 - 1.880 |
R-factor | 0.1882 |
Rwork | 0.187 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hwo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.118 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX ((1.10_2155)) |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.490 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.751 | |
Number of reflections | 73403 | |
<I/σ(I)> | 14 | 2 |
Completeness [%] | 99.8 | 96.4 |
Redundancy | 7.2 | 6.6 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6 | 298.15 | 0.1 M MES pH 6.0, 63% PEG 200, 0.05 M ammonium chloride |