9GMJ

The crystal structure of ManDH5 Selenomethionine derivative at 1.6 Angstroms resolution - a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.986
Spacegroup name	I 2 2 2
Unit cell lengths	95.207, 99.274, 153.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.400 - 1.600
R-factor	0.1776
Rwork	0.177
R-free	0.19030
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	xia2
Phasing software	CRANK2
Refinement software	PHENIX (1.14-3228)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.400	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	95883	4677
<I/σ(I)>	22	3.6
Completeness [%]	100.0	100
Redundancy	20
CC(1/2)	0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	32% PEG 1500, 0.1 M MMT buffer pH 7.0