4H35

Feruloyl Esterase Domain of XYNY from Clostridium thermocellum before exposure to 266nm UV laser

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-15
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.370, 108.400, 112.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.860 - 1.900
R-factor	0.1585
Rwork	0.157
R-free	0.17740
Structure solution method	UV-RIP
RMSD bond length	0.008
RMSD bond angle	1.107
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.900
Rmerge	0.104
Number of reflections	63630
<I/σ(I)>	13.76
Completeness [%]	99.5
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	100 mM HEPES, pH 7.5, 1 M sodium acetate, 50 mM cadmium acetate, 5% glycerol, VAPOR DIFFUSION, temperature 293K