5G5M

Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	49.859, 77.442, 70.878
Unit cell angles	90.00, 92.16, 90.00

Refinement procedure

Resolution	70.827 - 2.070
R-factor	0.1886
Rwork	0.186
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g59
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.820	2.080
High resolution limit [Å]	2.070	2.070
Rmerge	0.070	0.700
Number of reflections	32672
<I/σ(I)>	13.1	2.1
Completeness [%]	98.8	99.4
Redundancy	4.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				10% PEG 8000, 10% ETHYLENE GLYCOL, 0.1 M HEPES PH 7.5