6ZZ0
Structure of the borneol dehydrogenase of Salvia rosmarinus (apo)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 108.180, 108.180, 230.366 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.100 |
R-factor | 0.2571 |
Rwork | 0.255 |
R-free | 0.30540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bgm |
RMSD bond length | 0.004 |
RMSD bond angle | 0.748 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.290 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.194 | 2.125 |
Rmeas | 0.198 | 2.169 |
Number of reflections | 25633 | 4012 |
<I/σ(I)> | 16.49 | 1.56 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 25.9 | 25.4 |
CC(1/2) | 0.999 | 0.889 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 3.0M NaCl 0.1M bis-tris pH 6.0 |