4MYS
1.4 Angstrom Crystal Structure of 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase with SHCHC and Pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 31 |
| Unit cell lengths | 122.000, 122.000, 46.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.089 - 1.423 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.18190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.058 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.201 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.100 | |
| Number of reflections | 145860 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 99.5 | 94.4 |
| Redundancy | 5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 1.6M K/Na phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
