4CG3

Structural and functional studies on a thermostable polyethylene therephtalate degrading hydrolase from Thermobifida fusca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector	MARRESEARCH
Spacegroup name	I 41
Unit cell lengths	117.900, 117.900, 36.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.122 - 1.550
R-factor	0.1202
Rwork	0.117
R-free	0.14920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jfr
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.100	0.590
Number of reflections	36710
<I/σ(I)>	7.6	2.4
Completeness [%]	100.0	100
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1