3QYA

Crystal structure of a red-emitter mutant of Lampyris turkestanicus luciferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-08
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 41
Unit cell lengths	85.009, 85.009, 97.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.980 - 2.130
R-factor	0.1672
Rwork	0.165
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ba3
RMSD bond length	0.018
RMSD bond angle	1.559
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.370		2.190
High resolution limit [Å]	2.130	9.540	2.130
Rmerge	0.133	0.021	0.644
Number of reflections	38301	438	2768
<I/σ(I)>	12.27	53.4	2.5
Completeness [%]	99.7	97.1	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	4 % w/v PEG 8000, 14 % v/v Ethylenglycol, 100 mM Na-HEPES, pH 7.5, vapor diffusion, sitting drop, temperature 293K