5G1U
Linalool Dehydratase Isomerase in complex with Geraniol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 120 |
Collection date | 2015-10-16 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.800, 106.040, 220.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.920 - 2.570 |
R-factor | 0.1629 |
Rwork | 0.161 |
R-free | 0.19787 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SEMET STRUCTURE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.635 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.920 | 2.650 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmerge | 0.150 | 0.670 |
Number of reflections | 79198 | |
<I/σ(I)> | 9.4 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.1 M SODIUM TARTRATE AT PH 7.0 WITH 1% (W/V) GLYCEROL |