5DWV

Crystal structure of the Luciferase complexed with substrate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9791
Spacegroup name	P 41
Unit cell lengths	73.101, 73.101, 96.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.430 - 2.300
R-factor	0.1821
Rwork	0.178
R-free	0.22750
RMSD bond length	0.009
RMSD bond angle	1.087
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10pre_2124: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.430
High resolution limit [Å]	2.300
Number of reflections	165729
<I/σ(I)>	26.48
Completeness [%]	100.0
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	Li2SO4, PEG8000, Tris