5WC4
Crystal structure of biphenyl synthase from Malus domestic complexed with benzoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.247, 112.985, 62.783 |
Unit cell angles | 90.00, 93.27, 90.00 |
Refinement procedure
Resolution | 42.631 - 1.200 |
R-factor | 0.1013 |
Rwork | 0.100 |
R-free | 0.12470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w8q |
RMSD bond length | 0.012 |
RMSD bond angle | 1.446 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.220 |
High resolution limit [Å] | 1.200 | 3.260 | 1.200 |
Rmerge | 0.069 | 0.037 | 0.477 |
Total number of observations | 876363 | ||
Number of reflections | 239899 | ||
<I/σ(I)> | 10.6 | ||
Completeness [%] | 99.9 | 97.8 | 100 |
Redundancy | 3.7 | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | 1:1 = protein : Sodium-HEPES (pH7.5) 0.1M, Ammonium Acetate 0.2M, PEG8000 14% |