4BK1
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: H213S mutant in complex with 3-hydroxybenzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-26 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 105.820, 105.820, 142.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.910 - 1.730 |
| R-factor | 0.16053 |
| Rwork | 0.158 |
| R-free | 0.20118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjy |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.040 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.910 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.060 | 0.200 |
| Number of reflections | 40940 | |
| <I/σ(I)> | 12.3 | 4.6 |
| Completeness [%] | 97.6 | 99.3 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30% PEG 4000, 0.2 M LISO4 AND 0.1 M TRIS/HCL (PH 8.5) |
