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