5O2X

Extended catalytic domain of H. jecorina LPMO9A a.k.a EG4

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	2013-11-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972425
Spacegroup name	P 1 21 1
Unit cell lengths	42.820, 61.550, 47.780
Unit cell angles	90.00, 112.03, 90.00

Refinement procedure

Resolution	44.290 - 0.950
R-factor	0.11582
Rwork	0.115
R-free	0.12741
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.832
Data reduction software	XDS (Nov. 2013)
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.300	0.950
High resolution limit [Å]	0.950	0.900
Rmerge	0.074	0.679
Rmeas	0.083	0.780
Rpim	0.036	0.375
Number of reflections	121945
<I/σ(I)>	14.1
Completeness [%]	99.0
Redundancy	4.3
CC(1/2)	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	1.6M AmSO4 0.1M Citric Acid pH 4.0