5W8Q
Crystal structure of biphenyl synthase from Malus domestica
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 | 2010-02-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.99980 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.270, 113.020, 62.770 |
Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
Resolution | 27.917 - 1.173 |
R-factor | 0.0992 |
Rwork | 0.098 |
R-free | 0.12160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bi5 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.421 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.675 | 27.917 | 1.240 |
High resolution limit [Å] | 1.173 | 3.710 | 1.173 |
Rmerge | 0.084 | 0.057 | 0.297 |
Rmeas | 0.094 | 0.062 | 0.378 |
Rpim | 0.041 | 0.026 | 0.231 |
Number of reflections | 251517 | ||
<I/σ(I)> | 11.3 | 10.6 | 1.4 |
Completeness [%] | 98.3 | 98 | 94.2 |
Redundancy | 4.5 | 5.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | 14% PEG 8000, 0.3M Ammonium acetate, 0.1M sodium-HEPES pH7.5 |