5BRT
Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica with 2-hydroxybiphenyl in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.470, 130.680, 78.660 |
| Unit cell angles | 90.00, 98.61, 90.00 |
Refinement procedure
| Resolution | 36.304 - 2.300 |
| R-factor | 0.2304 |
| Rwork | 0.229 |
| R-free | 0.25460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z2r |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.352 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.021 | 36.304 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.025 | 0.167 | |
| Rmeas | 0.044 | ||
| Rpim | 0.020 | 0.014 | 0.079 |
| Total number of observations | 501762 | 13420 | 78901 |
| Number of reflections | 102878 | ||
| <I/σ(I)> | 26.5 | 45.4 | 10.1 |
| Completeness [%] | 99.6 | 98.3 | 99.2 |
| Redundancy | 4.9 | 4.1 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M sodium citrate and 25% PEG3350 |
