7AD2
Linalool Dehydratase Isomerase G107T mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2018-01-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 221.984, 110.763, 108.590 |
Unit cell angles | 90.00, 117.98, 90.00 |
Refinement procedure
Resolution | 98.020 - 1.830 |
R-factor | 0.2151 |
Rwork | 0.214 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g1u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.040 | 1.880 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.120 | 0.580 |
Rpim | 0.100 | 0.490 |
Number of reflections | 198119 | 14473 |
<I/σ(I)> | 6.5 | 1.5 |
Completeness [%] | 93.8 | 91.2 |
Redundancy | 4.2 | 3.9 |
CC(1/2) | 0.980 | 0.540 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 5 mg mL-1 protein concentration, 0.2 M sodium malonate, 0.1 M Bis-Tris propane pH 6.0, 20% w/w PEG 3350 and 3% (v/v) methyl-2,4-pentanediol (MPD). |