5GTQ
Luciferin-regenerating enzyme at cryogenic temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-17 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9839 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.275, 76.696, 83.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.831 - 1.130 |
R-factor | 0.1195 |
Rwork | 0.119 |
R-free | 0.13890 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5d9c |
RMSD bond length | 0.006 |
RMSD bond angle | 0.995 |
Data reduction software | XDS |
Data scaling software | XDS (January 10, 2014) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.831 | 36.831 | 1.200 |
High resolution limit [Å] | 1.130 | 3.380 | 1.130 |
Rmerge | 0.037 | 0.018 | 0.256 |
Number of reflections | 216478 | ||
<I/σ(I)> | 18.27 | 56.12 | 3.39 |
Completeness [%] | 98.0 | 99.3 | 89.9 |
Redundancy | 3.53 | ||
CC(1/2) | 0.999 | 0.999 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | mixing purified LRE solution (27 mg/mL LRE, 10 mM HEPES pH 7.5, 0.1 M NaCl, 10% glycerol) and precipitant solution (28.4% PEG3350, 10% MPD, 0.1 M MOPS pH 7.0, 0.2 M MgCl2) at 1:1 ratio |