4MPP
Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.356, 95.704, 137.163 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.450 - 1.501 |
R-factor | 0.1338 |
Rwork | 0.133 |
R-free | 0.15920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.599 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 84590 | |
Completeness [%] | 99.1 | 98 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES sodium, 0.15 M calcium chloride, 22% v/v PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |