6KME

Crystal structure of phytochromobilin synthase from tomato in complex with biliverdin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	64.130, 64.130, 158.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.851 - 1.950
R-factor	0.1646
Rwork	0.162
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmd
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (v1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.851	49.851	2.060
High resolution limit [Å]	1.950	5.770	1.950
Rmerge	0.534	0.184	4.222
Rmeas	0.537	0.185	4.246
Rpim	0.055		0.447
Number of reflections	25049	1124	3719
<I/σ(I)>	17.6	43.65	3.81
Completeness [%]	100.0	99.6	100
Redundancy	95.059	93.854	91.257
CC(1/2)	0.997	0.998	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	PEG 8000, magnesium chloride, Tris-HCl