4CY6
apo structure of 2-hydroxybiphenyl 3-monooxygenase HbpA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2012-12-02 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.350, 94.670, 99.160 |
| Unit cell angles | 115.03, 96.09, 109.59 |
Refinement procedure
| Resolution | 85.970 - 2.760 |
| R-factor | 0.19262 |
| Rwork | 0.190 |
| R-free | 0.24114 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 3IHG |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.626 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.970 | 2.830 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.100 | 0.480 |
| Number of reflections | 59321 | |
| <I/σ(I)> | 5.4 | 1.6 |
| Completeness [%] | 97.9 | 97.8 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 18% (W/V) PEG 3350, 0.15 M KSCN IN BIS-TRIS PROPANE BUFFER AT PH 5.5, WITH A PROTEIN CONCENTRATION OF 10 MG ML-1. |
