1QK0

CEL6A WITH A NON-HYDROLYSABLE CELLOTETRAOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-12-31
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 1 21 1
Unit cell lengths	48.500, 74.690, 91.140
Unit cell angles	90.00, 103.19, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.181
Rwork	0.181
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.300	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.158
Number of reflections	36553
<I/σ(I)>	16.7	6.7
Completeness [%]	100.0	99.9 *
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG6000	20 (%)	can be replaced by mPEG5000
2	1	1	MES	20 (mM)