1BIK

X-RAY STRUCTURE OF BIKUNIN FROM THE HUMAN INTER-ALPHA-INHIBITOR COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-11
Detector	RIGAKU RAXIS II
Spacegroup name	P 41 21 2
Unit cell lengths	55.300, 55.300, 146.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	C-TERMINAL DOMAIN OF PDB ENTRY 1KNT
RMSD bond length	0.010
RMSD bond angle	25.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.072	0.210
Total number of observations	55165 *
Number of reflections	8519
<I/σ(I)>	13.4	10.1
Completeness [%]	97.7	97.6
Redundancy	6.5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	ammonium sulfate	2 (M)
3	1	drop	PEG400	4 (%)
4	1	drop	HEPES	0.1 (M)