4D8L
Crystal structure of the 2-pyrone-4,6-dicarboxylic acid hydrolase from sphingomonas paucimobilis
Replaces: 2QAHExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.100, 73.170, 82.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.910 - 2.000 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.22880 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.319 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.057 | 0.034 | 0.273 |
Number of reflections | 35073 | ||
<I/σ(I)> | 11.3 | ||
Completeness [%] | 84.2 | 88.3 | 61.8 |
Redundancy | 1.8 | 1.7 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG 4000, 0.1M TRIS-HCL PH 8.5,0.2 MG CHLORIDE, VAPOR DIFFUSION, SITTING DROP, temperature 298K |