5JY8
An iron-bound 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 315r |
| Wavelength(s) | 1.739 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 81.377, 81.377, 262.283 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.861 - 2.942 |
| R-factor | 0.2163 |
| Rwork | 0.212 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hwo |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.766 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.860 | 3.120 |
| High resolution limit [Å] | 2.940 | 2.940 |
| Rmerge | 0.754 | |
| Number of reflections | 19603 | |
| <I/σ(I)> | 21.6 | 5.6 |
| Completeness [%] | 99.4 | 96.7 |
| Redundancy | 27.6 | 27.3 |
| 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, 60% PEG 200, 0.05 M ammonium chloride |
