4B9O

The PR0 Photocycle Intermediate of Photoactive Yellow Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	288
Detector technology	CCD
Collection date	2012-03-12
Detector	MARRESEARCH SX-165
Wavelength(s)	0.96,1.30
Spacegroup name	P 63
Unit cell lengths	66.833, 66.833, 40.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.285 - 1.600
R-factor	0.2239
Rwork	0.221
R-free	0.29280
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.189
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.280	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.120	0.150
Number of reflections	10605
<I/σ(I)>	4.6	0.7
Completeness [%]	0.5	0.1
Redundancy	5.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	2.2 M AMMONIUM SULFATE, 1.0 M SODIUM CHLORIDE, AND 10 MM SODIUM DIDEUTERIUM PHOSPHATE, 10 MM DISODIUM DEUTERIUM PHOSPHATE, PH 9.0, VAPOR DIFFUSION, HANGING DROP, MICROSEEDING, TEMPERATURE 295 K