3TVR
Crystal Structure of Streptomyces coelicolor Polyketide Aromatase/Cyclase whiE-ORFVI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-3 |
Synchrotron site | SSRL |
Beamline | BL9-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-05 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.702, 42.060, 47.999 |
Unit cell angles | 90.00, 91.89, 90.00 |
Refinement procedure
Resolution | 34.390 - 1.800 |
R-factor | 0.17503 |
Rwork | 0.170 |
R-free | 0.21414 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rer |
RMSD bond length | 0.021 |
RMSD bond angle | 1.964 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 17903 | |
Completeness [%] | 99.7 | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 277 | 0.1M Bis-Tris, 0.2M magnesium chloride, 28% PEG 3350, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |