5C5K

Structure of the Pfr form of a canonical phytochrome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	89.399, 192.747, 225.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 3.310
R-factor	0.1976
Rwork	0.196
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2O9C and 4Q0J
RMSD bond length	0.002
RMSD bond angle	0.602
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.800	48.800	3.480
High resolution limit [Å]	3.310	14.340	3.310
Rmerge	0.242	0.056	3.616
Rpim	0.054	0.015	0.793
Total number of observations	1137231	12575	94099
Number of reflections	55199
<I/σ(I)>	22.4	124.9	1.4
Completeness [%]	99.8	96.9	99.6
Redundancy	20.6	15.5	21.1
CC(1/2)	0.998	0.997	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	PEG 3350, sodium chloride, ethylene glycol, MOPS, ammonium acetate, fructose, glucose, sodium citrate