1XKJ

BACTERIAL LUCIFERASE BETA2 HOMODIMER

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-10-06
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	112.400, 112.400, 153.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.191
Rwork	0.191
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LUCIFERASE AB HETERODIMER (PDB ENTRY 1BRL)
RMSD bond length	0.013
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.088
Total number of observations	245416 *
Number of reflections	32225
Completeness [%]	93.0	78 *
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	4 *	SITTING DROP, 277 KELVIN, 12% PEG 4000, 17-21% ISOPROPANOL, 0.006M DTT, 0.1M CITRATE PH 6.2. 50 MG/ML PROTEIN., vapor diffusion - sitting drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	12 (%)
2	1	reservoir	2-propanol	17-21 (%)
3	1	reservoir	DTT	6 (mM)
4	1	reservoir	citrate	0.1 (M)