1BWW

BENCE-JONES IMMUNOGLOBULIN REI VARIABLE PORTION, T39K MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-03-15
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	35.400, 40.100, 43.100
Unit cell angles	66.90, 85.40, 73.80

Refinement procedure

Resolution	45.000 - 1.700
R-factor	0.156 *
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	REI WILDTYPE 1REI
RMSD bond length	0.007
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.048	0.318
Number of reflections	22266	2104 *
<I/σ(I)>	11.1	2.6
Completeness [%]	96.2	90.1
Redundancy	1.8	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7	277 *	20% PEG 8000, 100 MM HEPES PH7 10 MG/ML PROTEIN IN 50 MM PHOSPHATE PH7, pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	potassium phosphate	25 (mM)
3	1	drop	PEG8000	10 (%)
4	1	drop	HEPES	50 (mM)