2AXE

IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1997-12
Spacegroup name	P 21 21 21
Unit cell lengths	34.900, 61.278, 72.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 1.800
R-factor	0.173 *
R-free	0.23690
Structure solution method	SIRAS
RMSD bond length	0.013
RMSD bond angle	26.801 *
Data reduction software	DENZO
Phasing software	SHELX
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.110
Total number of observations	99865 *
Number of reflections	15046
<I/σ(I)>		2
Completeness [%]	99.8	99
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.3 *		Pangborn, W., (1996) Proteons Struct.Funct.Genet., 24, 523. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	citrate	50 (mM)
3	1	drop	ammonium sulfate	13 (%sat)
4	1	reservoir	ammonium sulfate	33-37 (%sat)
5	1	reservoir	citrate	50 (mM)