8CQ3
Bifunctional chorismate mutase/cyclohexadienyl dehydratase from Aequoribacter fuscus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.419, 98.760, 55.336 |
| Unit cell angles | 90.00, 108.52, 90.00 |
Refinement procedure
| Resolution | 52.470 - 1.550 |
| Rwork | 0.198 |
| R-free | 0.25110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.575 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.500 | 1.730 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 33225 | 2216 |
| <I/σ(I)> | 9.3 | 1.6 |
| Completeness [%] | 88.9 | 69.7 |
| Redundancy | 6.5 | 6.9 |
| CC(1/2) | 0.997 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.1M Bis-TRIS propane, pH=7.5 0.2 M Sodium acetate 20% w/v PEG 3350 5 mg/mL protein in 20 mM TRIS-HCl, pH=8, 150 mM NaCl |
