3V1N
Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 116.641, 116.641, 87.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.480 - 1.590 |
| R-factor | 0.1871 |
| Rwork | 0.186 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.387 |
| 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] | 82.480 | 50.000 | 1.650 |
| High resolution limit [Å] | 1.590 | 3.430 | 1.590 |
| Rmerge | 0.070 | 0.032 | 0.824 |
| Number of reflections | 40851 | ||
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 99.9 | 99.6 | 99.7 |
| Redundancy | 14 | 13.9 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 298 | 2.4 M Sodium malonate, 10 mM Calcium chloride dihydrate, pH 6.4, vapor diffusion, sitting drop, temperature 298K |
