1AR2

DISULFIDE-FREE IMMUNOGLOBULIN FRAGMENT

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-08-28
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	52.800, 52.800, 158.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.000 - 2.800
R-factor	0.228 *
R-free	0.34300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rei
RMSD bond length	0.004
RMSD bond angle	30.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.104	0.376
Total number of observations	37985 *
Number of reflections	3549
<I/σ(I)>	11.1	2.7
Completeness [%]	97.0	97.8
Redundancy	10.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	4 *	VAPOUR DIFFUSION AL 4 C FROM A PROTEIN SOLUTION CONTAINING 8 MG/ML IN 50 MM POTASSIUM PHOSPHATE BUFFER AL PH 7, USING 2 M AMMONIUM SULFATE IN 100 MM SODIUM ACETATE BUFFER, PH 4.6, vapor diffusion, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	potassium phosphate	50 (mM)
3	1	reservoir	ammonium sulfate	2 (M)
4	1	reservoir	sodium acetatex	100 (mM)