1D7E

CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN

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
Collection date	1998-02-01
Detector	MARRESEARCH
Spacegroup name	P 65
Unit cell lengths	40.561, 40.561, 118.089
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.390
R-factor	0.138 *
Rwork	0.139
R-free	0.19800
RMSD bond length	0.008
RMSD bond angle	1.920
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.039	0.126
Total number of observations	194171 *
Number of reflections	21796 *	2190 *
<I/σ(I)>	23.1
Completeness [%]	98.8	100
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	290	used as seeds, Borgstahl, G.O., (1995) Biochemistry, 34, 6278. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		3.2 (M)
2	1	reservoir	sodium phosphate	20 (mM)
3	1	drop	protein	15 (mg/ml)
4	1	drop		2.5 (M)
5	1	drop	sodium phosphate	20 (mM)