3V1L
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
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 | 2009-11-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 117.458, 117.458, 87.791 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.060 - 2.110 |
R-factor | 0.1809 |
Rwork | 0.179 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.261 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.060 | 50.000 | 2.190 |
High resolution limit [Å] | 2.110 | 4.540 | 2.110 |
Rmerge | 0.126 | 0.059 | 0.367 |
Number of reflections | 17692 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 97.8 | 100 | 80.6 |
Redundancy | 7.6 | 9.9 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSING, SITTING DROP, MICROSEEDING | 6.8 | 298 | 2.4 M Sodium malonate, pH 6.8, VAPOR DIFFUSING, SITTING DROP, MICROSEEDING, temperature 298K |