6T9G

CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	110
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	80.437, 89.965, 91.587
Unit cell angles	90.00, 90.08, 90.00

Refinement procedure

Resolution	44.983 - 2.296
R-factor	0.213151746088
Rwork	0.211
R-free	0.24807
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i6s
RMSD bond length	0.008
RMSD bond angle	0.965
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.983	2.430
High resolution limit [Å]	2.296	2.296
Number of reflections	56494	7727
<I/σ(I)>	9.51
Completeness [%]	96.6
Redundancy	6.41
CC(1/2)	0.997	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	PEG 3350,bis-tris pH 5,5, magnesium chloride