4GG1
Crystal Structure of Benzoylformate Decarboxylase Mutant L403T
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.432, 95.600, 137.012 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.965 - 1.069 |
R-factor | 0.1399 |
Rwork | 0.139 |
R-free | 0.15600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bfd |
RMSD bond length | 0.015 |
RMSD bond angle | 1.648 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.970 | 1.150 | 1.110 |
High resolution limit [Å] | 1.070 | 1.110 | 1.070 |
Number of reflections | 220519 | ||
<I/σ(I)> | 2.29 | 1.34 | |
Completeness [%] | 94.1 | 83.5 | 61.1 |
Redundancy | 3.5 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100 mM Tris pH 8.5, 22% v/v PEG 400, 150 mM CaCl2, 0.5% v/v MPD [2-METHYL-2,4-PENTANEDIOL], VAPOR DIFFUSION, HANGING DROP, temperature 298K |