5I20

Crystal structure of protein

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	CCD
Collection date	2015-04-12
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 1 2 1
Unit cell lengths	105.840, 84.650, 112.250
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	45.974 - 2.400
R-factor	0.2275
Rwork	0.226
R-free	0.24950
Structure solution method	SIRAS
RMSD bond length	0.003
RMSD bond angle	0.751
Data scaling software	XSCALE
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.540
High resolution limit [Å]	2.400	7.120	2.400
Rmerge	0.120	0.036	1.269
Number of reflections	73767
<I/σ(I)>	13.25	38.95	1.91
Completeness [%]	99.8	98.9	99.8
Redundancy	8.47
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.5	293	32-34% PEG 550 MME, 100 mM Na-citrate (pH 4.5), 100 mM (NH4)2HPO4, 100 mM (NH4)2SO4