1TUX

HIGH RESOLUTION CRYSTAL STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-05-05
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	41.690, 68.100, 51.440
Unit cell angles	90.00, 113.59, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.16
Rwork	0.160
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	STREPTOMYCES LIVIDANS XYLANASE
RMSD bond length	0.012
RMSD bond angle	22.310 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.050	0.110
Total number of observations	85248 *
Number of reflections	22983
Completeness [%]	93.0	86.1
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2		pH 7.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1 (%)
2	1	drop	PEG6000	10 (%(w/v))
3	1	reservoir	PEG6000	50 (%)