5UJV

Crystal structure of FePYR1 in complex with abscisic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-24
Detector	RAYONIX MX-225
Wavelength(s)	0.9778
Spacegroup name	P 42 21 2
Unit cell lengths	110.620, 110.620, 124.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.303 - 2.700
R-factor	0.2295
Rwork	0.228
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.873
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.000	2.760
High resolution limit [Å]	2.700	2.700
Rmerge	0.298	3.935
Number of reflections	38108
<I/σ(I)>	11.7
Completeness [%]	96.3
Redundancy	23.2
CC(1/2)	0.997	0.306

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	BIS-TRIS, Ammonium sulfate, Polyethylene glycol monomethyl ether 550