5D9D
Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2014-07-01 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9839 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.107, 77.177, 84.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.857 - 1.701 |
R-factor | 0.1457 |
Rwork | 0.144 |
R-free | 0.17760 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.778 |
Data reduction software | XDS |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.100 | 1.800 | |
High resolution limit [Å] | 1.700 | 5.070 | 1.700 |
Rmerge | 0.087 | 0.036 | 0.625 |
Rmeas | 0.101 | 0.042 | 0.728 |
Total number of observations | 258663 | ||
Number of reflections | 67034 | 2536 | 10797 |
<I/σ(I)> | 10.58 | 30.13 | 2.15 |
Completeness [%] | 99.8 | 99.9 | 99.3 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30.6% PEG 3350, 10% MPD, 0.1M MOPS pH 7.0, 0.2M MgCl2 |