4C4X
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-30 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.690, 79.870, 88.610 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 29.630 - 2.170 |
| R-factor | 0.2133 |
| Rwork | 0.211 |
| R-free | 0.24180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3otq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.310 | 2.280 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.090 | 0.410 |
| Number of reflections | 35085 | |
| <I/σ(I)> | 7.9 | 2.4 |
| Completeness [%] | 98.9 | 99.4 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | HANGING DROP. 1 UL PROTEIN SOLUTION (8 MG/ML SEH IN 100 MM NAPO2, PH 7.4, 5 MM DTT AND 15% GLYCEROL) WAS MIXED WITH 1 UL RESERVOIR SOLUTION (100 MM TRIS-HCL, PH 8.3, 26% PEG4000 AND 200 MM LI2SO4 AND EQUILIBRATED AT 20C. CRYSTALS APPEARED IN ABOUT 2 WEEKS |
