6V8L

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	2015-06-29
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	39.913, 110.565, 65.772
Unit cell angles	90.00, 96.58, 90.00

Refinement procedure

Resolution	24.100 - 1.950
R-factor	0.2201
Rwork	0.218
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v8h
RMSD bond length	0.016
RMSD bond angle	1.520
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	0.039	0.352
Rmeas	0.047	0.424
Rpim	0.026	0.234
Number of reflections	40882	2067
<I/σ(I)>	35.4	3.7
Completeness [%]	98.9	100
Redundancy	3.2	3.3
CC(1/2)		0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	0.1M HEPES, 2.4M Ammonium Sulfate, pH 7.0