6V8H

Crystal structure of Ara h 8.0201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-28
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	65.997, 111.275, 80.021
Unit cell angles	90.00, 93.70, 90.00

Refinement procedure

Resolution	27.830 - 2.310
R-factor	0.2289
Rwork	0.227
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4map
RMSD bond length	0.010
RMSD bond angle	1.457
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	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.082	0.492
Rmeas	0.094	0.564
Rpim	0.045	0.273
Number of reflections	48973	2377
<I/σ(I)>	22.1	2.4
Completeness [%]	97.1	93.8
Redundancy	4	4
CC(1/2)		0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	295	0.15M HEPES, 2.4M Ammonium Sulfate, pH 8.0