1S4R

Structure of a reaction intermediate in the photocycle of PYP extracted by a SVD-driven analysis

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	2000-12-01
Detector	MARRESEARCH
Wavelength(s)	1.0-1.5
Spacegroup name	P 63
Unit cell lengths	66.900, 66.900, 40.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.2421
Rwork	0.242
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2phy
Data reduction software	LaueView
Data scaling software	LaueView
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	40.000
High resolution limit [Å]	1.900	1.900
Number of reflections	8327
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Ammoniumsulfate, potassium phosphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7	291	Ammoniumsulfate, potassium phosphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K