5YJS

Structure of vicilin from Capsicum annuum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 3
Unit cell lengths	148.030, 148.030, 148.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.160
R-factor	0.17735
Rwork	0.175
R-free	0.21671
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cad
RMSD bond length	0.018
RMSD bond angle	1.805
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.12)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.160	2.160
Rmerge	0.110	0.622
Number of reflections	55184
<I/σ(I)>	10.5	2.7
Completeness [%]	100.0	100
Redundancy	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	50mM HEPES, 12% PEG 3350