4LEJ

Crystal Structure of the Korean pine (Pinus koraiensis) vicilin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	110
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 21 3
Unit cell lengths	148.780, 148.780, 148.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.268 - 2.402
R-factor	0.1947
Rwork	0.192
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1304)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.106	0.108	0.752
Number of reflections	21280
<I/σ(I)>	20
Completeness [%]	98.9	81.5	100
Redundancy	7.2	5.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	2M sodium formate, 0.1 M sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K