1JAL

YCHF PROTEIN (HI0393)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-20
Detector	MARRESEARCH
Wavelength(s)	1.0597
Spacegroup name	P 1 21 1
Unit cell lengths	61.000, 93.600, 85.200
Unit cell angles	90.00, 100.10, 90.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.208
Rwork	0.204
R-free	0.24700
Structure solution method	MIR
RMSD bond length	0.016
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.044 *	0.242 *
Number of reflections	36325 *	2379 *
<I/σ(I)>	38
Completeness [%]	99.4 *	98.8 *
Redundancy	5.4 *	5.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	PEG8000, Magnesium acetate, Bicine buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Bicine	0.1 (M)	pH7.5
2	1	reservoir	magnesium acetate	0.3 (M)
3	1	reservoir	PEG8000	13 (%)