3CH0
Crystal structure of glycerophosphoryl diester phosphodiesterase (YP_677622.1) from Cytophaga hutchinsonii ATCC 33406 at 1.50 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97910 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.532, 61.211, 113.699 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.553 - 1.500 |
R-factor | 0.16 |
Rwork | 0.158 |
R-free | 0.18900 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.655 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.553 | 29.553 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.083 | 0.043 | 0.707 |
Total number of observations | 2461 | 15893 | |
Number of reflections | 56237 | ||
<I/σ(I)> | 6.4 | 13.2 | 1.1 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 3.9 | 3.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | NANODROP, 14.0% PEG 4000, 24.227% 2-propanol, 5.0% Glycerol, 0.1M Citric acid pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |