1GSX

CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G47S/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	40.420, 40.420, 118.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.790
R-factor	0.197
Rwork	0.197
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d7e
RMSD bond length	0.009 *
RMSD bond angle	1.490 *
Data reduction software	MAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.069	0.523
Total number of observations	26058 *
Number of reflections	9953 *	936 *
<I/σ(I)>	9.1	2
Completeness [%]	95.8	91.7
Redundancy	2.6

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