2ZOI

Neutron Crystal Structure of Photoactive Yellow Protein, Wild type, at 295K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	NUCLEAR REACTOR
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2007-03-31
Detector	MACSCIENCE DIP SCANNER FOR NEUTRONS
Wavelength(s)	2.6
Spacegroup name	P 63
Unit cell lengths	67.145, 67.145, 41.119
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.000 - 1.500
Rwork	0.192
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zoh
RMSD bond length	0.013
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.109	0.324
Number of reflections	15293
<I/σ(I)>	7.4	2.91
Completeness [%]	89.6	72.8
Redundancy	2.6	2

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