6V8J

Crystal structure of Ara h 8.0201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	38.406, 59.209, 67.078
Unit cell angles	89.96, 89.99, 71.02

Refinement procedure

Resolution	31.960 - 1.950
R-factor	0.175
Rwork	0.173
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4map
RMSD bond length	0.012
RMSD bond angle	1.427
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.062	0.376
Rmeas	0.084	0.514
Rpim	0.057	0.348
Number of reflections	39685	1963
<I/σ(I)>	14.8	2.1
Completeness [%]	97.5	96.1
Redundancy	2.2	2.1
CC(1/2)		0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	298	10 mM CHES/NaOH, 20%w/v PEG 8000, pH 9.5