6M5N
Apo-Form Structure of Borneol Dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-11-07 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 71.629, 96.507, 142.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.550 - 1.840 |
| R-factor | 0.1581 |
| Rwork | 0.157 |
| R-free | 0.18150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3ak4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.957 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.137 | 0.842 |
| Rpim | 0.067 | 0.413 |
| Number of reflections | 21642 | 2120 |
| <I/σ(I)> | 11.54 | 2.03 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5 | 5 |
| CC(1/2) | 0.918 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | PEG 8000, sodium acetate, lithium sulfate |
