9GPA

ManDH5- a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	94.648, 99.256, 153.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 1.500
R-factor	0.1451
Rwork	0.144
R-free	0.16090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Semet derivative
RMSD bond length	0.008
RMSD bond angle	1.071
Data reduction software	xia2 (CCP4i2 7.0.078)
Data scaling software	XDS (CCP4i2 7.0.078)
Phasing software	PHASER (1.14.3228_000)
Refinement software	PHENIX (1.14.3228_000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	1151036	67102
<I/σ(I)>	19.6
Completeness [%]	100.0	99.9
Redundancy	12.7
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297	0.1M MMT buffer (pH 7.0),30% PEG 1500