3KSC

Crystal structure of pea prolegumin, an 11S seed globulin from Pisum sativum L.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-24
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	129.777, 148.441, 149.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.057 - 2.606
R-factor	0.1781
Rwork	0.175
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fxz
RMSD bond length	0.006
RMSD bond angle	0.986
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.087	0.467
Number of reflections	88303
<I/σ(I)>	15.4	2.18
Completeness [%]	99.5	98.2
Redundancy	5.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	2.0M ammonium sulfate, 0.2M K/Na tartrate, 0.1M sodium citrate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K