1KS4

The structure of Aspergillus niger endoglucanase-palladium complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-10-01
Detector	MAC Science DIP-2030K
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	131.088, 131.088, 71.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.218
Rwork	0.214
R-free	0.24200 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.430 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.550
High resolution limit [Å]	2.500	2.500
Rmerge	0.090 *	0.630 *
Total number of observations	117527 *
Number of reflections	11084 *
<I/σ(I)>	26.7	3.7
Completeness [%]	96.0	89.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	291	PEG 4000, Sodium Acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	reservoir	PEG4000	28 (%)
3	1	reservoir	acetate	100 (mM)	pH4.8