6FKX

Crystal structure of an acetyl xylan esterase from a desert metagenome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	107.680, 116.820, 159.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.230 - 2.030
Rwork	0.169
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fcy
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.230	2.099
High resolution limit [Å]	2.026	2.026
Rmerge	0.066	0.348
Rmeas	0.093	0.492
Rpim	0.066	0.348
Number of reflections	130734
<I/σ(I)>	10.02
Completeness [%]	100.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	0.1 M 2-(N-morpholino) ethanesulfonic acid (MES) buffers pH 8.5 and 25% PEG 8000 (w/v)