5DEI
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-03-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 70.166, 92.451, 93.715 |
Unit cell angles | 63.59, 72.42, 72.88 |
Refinement procedure
Resolution | 27.413 - 1.300 |
R-factor | 0.1364 |
Rwork | 0.136 |
R-free | 0.14810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bfd |
RMSD bond length | 0.009 |
RMSD bond angle | 1.402 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.440 | |
Number of reflections | 418656 | |
<I/σ(I)> | 1.97 | 67.4 |
Completeness [%] | 86.2 | 44.4 |
Redundancy | 1 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | CRYSTALS WERE GROWN AT ROOM TEMPERATURE BY HANGING-DROP VAPOR DIFFUSION AGAINST A WELL SOLUTION OF 22% (V/V) POLYETHYLENE GLYCOL WITH AN AVERAGE MOLECULAR WEIGHT OF 400 KDA (PEG 400), 0.15 M CACL2, 0.5% (V/V) MPD, 0.1 M TRISCL (PH 8.5) |