2ZOH

X-ray Crystal Structure of Photoactive Yellow Protein, Wild type, at 295K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	295
Detector technology	CCD
Collection date	2006-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.45
Spacegroup name	P 63
Unit cell lengths	66.830, 66.830, 40.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.250
Rwork	0.112
R-free	0.14880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2phy
RMSD bond length	0.013
RMSD bond angle	0.030
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.830	1.320
High resolution limit [Å]	1.250	1.250
Rmerge	0.058	0.356
Number of reflections	28967
<I/σ(I)>	21.9	7.3
Completeness [%]	100.0	100
Redundancy	11.1	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP, MICROSEEDING	9	295	AMMONIUM SULPHATE, SODIUM CHLORIDE, SODIUM DIDEUTERIUM PHOSPHATE, DISODIUM DEUTERIUM PHOSPHATE, pH 9.0, VAPOR DIFFUSION, HANGING DROP, MICROSEEDING, temperature 295K