1GSW

CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G51S MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 65
Unit cell lengths	36.730, 36.730, 130.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.850
R-factor	0.196
Rwork	0.196
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d7e
RMSD bond length	0.008
RMSD bond angle	1.520
Data reduction software	MAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.073	0.484
Total number of observations	25707 *
Number of reflections	25707	829 *
<I/σ(I)>	10.1	1.9
Completeness [%]	99.2	98
Redundancy	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *		PEG 2K, MES., pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	phosphate	50 (mM)	pH7.
2	1	drop	protein	25 (mg/ml)
3	1	reservoir	PEG2000MME
4	1	reservoir	MES	50 (mM)	pH6.5