1KOU

Crystal Structure of the Photoactive Yellow Protein Reconstituted with Caffeic Acid at 1.16 A Resolution

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	1999-01-15
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 65
Unit cell lengths	40.582, 40.582, 117.801
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 * - 1.160
R-factor	0.162 *
Rwork	0.162
R-free	0.20300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2phy
RMSD bond length	0.009
RMSD bond angle	1.120 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.200
High resolution limit [Å]	1.160	1.160
Rmerge	0.040	0.546
Total number of observations	333681 *
Number of reflections	36609	3352 *
<I/σ(I)>	15.7	2.7
Completeness [%]	96.7	89.4
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	290	PEGMME 2000, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	PEG2000 MME
3	1	reservoir	MES	50 (mM)	pH6.5