5HYM
3-Hydroxybenzoate 6-hydroxylase from Rhodococcus jostii in complex with phosphatidylinositol
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 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 106.980, 106.980, 143.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.640 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.206 |
| R-free | 0.26170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjz |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.753 |
| Data reduction software | MOSFLM (7.2.1) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.640 | 43.640 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.160 | 0.080 | 0.547 |
| Rmeas | 0.172 | ||
| Rpim | 0.061 | ||
| Total number of observations | 140686 | ||
| Number of reflections | 18766 | ||
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 99.7 | 93.1 | 100 |
| Redundancy | 7.5 | 4.3 | 5.8 |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG 4000, 0.2 M lithium sulphate, 0.1 M Tris-HCl pH 8.5 |
