1HGW

CEL6A D175A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-04-29
Detector	MSC
Spacegroup name	P 1 21 1
Unit cell lengths	48.630, 74.720, 91.440
Unit cell angles	90.00, 103.64, 90.00

Refinement procedure

Resolution	20.000 * - 2.100
R-factor	0.183
Rwork	0.183
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILDTYPE CEL6A
RMSD bond length	0.005
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.049	0.118
Number of reflections	37025
<I/σ(I)>	19.8	7.8
Completeness [%]	99.5	99.9
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		Bergfors, T., (1989) J.Mol.Biol, 209, 167. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	mPEG5000	20 (%)
2	1	reservoir	MES	20 (mM)	pH6.0
3	1	reservoir		10 (mM)