2GVK
Crystal structure of a dye-decolorizing peroxidase (DyP) from Bacteroides thetaiotaomicron VPI-5482 at 1.6 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-12 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97920, 0.97903, 0.91837 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 109.090, 109.090, 122.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.010 - 1.600 |
R-factor | 0.16542 |
Rwork | 0.164 |
R-free | 0.19000 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 0.957 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.050 | 1.660 | |
High resolution limit [Å] | 1.600 | 2.730 | 1.600 |
Rmerge | 0.097 | 0.060 | 0.884 |
Number of reflections | 56989 | 10787 | 10181 |
<I/σ(I)> | 12.9 | 26 | 2.3 |
Completeness [%] | 99.7 | 98.7 | |
Redundancy | 14.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 4.5 | 277 | 0.2M Li2SO4, 2.5M NaCl, 0.1M Acetate pH 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |