3FCY

Crystal Structure of Acetyl Xylan Esterase 1 from Thermoanaerobacterium sp. JW/SL YS485

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9786
Spacegroup name	P 32 2 1
Unit cell lengths	132.263, 132.263, 112.914
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.184
Rwork	0.184
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fvr
RMSD bond length	0.005
RMSD bond angle	1.253
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.067	0.329
Number of reflections	66742
<I/σ(I)>		2.3
Completeness [%]	100.0	100
Redundancy	11.1	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	14% PEG 400, 0.1M calcium chloride, 0.05M sodium HEPES, pH 7.5, microbatch, temperature 293K