2HS9

Multipattern Rietveld refinement with protein powder data: An approach to higher resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 1-BM-C
Synchrotron site	APS
Beamline	1-BM-C
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2004-06-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.62074
Spacegroup name	P 43 21 2
Unit cell lengths	78.716, 78.716, 38.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - ?
Data reduction software	FIT2D
Refinement software	GSAS

Data quality characteristics

	Overall
Low resolution limit [Å]	17.770
High resolution limit [Å]	1.980
Rmerge	0.020
Number of reflections	8776
Completeness [%]	99.9
Redundancy	3.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH CRYSTALLIZATION	5	298	Rapid precipitation for 4 samples from 1.25, 1.0, 0.75 AND 0.25M NaCl in 0.05M KHPHTHALATE BUFFER, pH 5.0, BATCH CRYSTALLIZATION, temperature 298K