1G66

ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	85
Detector technology	CCD
Collection date	1995-12-15
Detector	PRINCETON 2K
Spacegroup name	P 21 21 21
Unit cell lengths	34.541, 59.898, 71.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 0.900
R-factor	0.103 *
Rwork	0.107
R-free	0.13200
Structure solution method	AB INITIO PHASING
RMSD bond length	0.016
RMSD bond angle	25.230 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	0.940
High resolution limit [Å]	0.900	0.900
Rmerge	0.058	0.185
Total number of observations	420882 *
Number of reflections	95283
<I/σ(I)>	29.2
Completeness [%]	86.6	40.4
Redundancy	4.41	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.3	298	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)