9GPC

The crystal structure of ManDH5 E303Q mutant at 1.4 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	2019-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	95.499, 99.128, 154.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.440 - 1.400
R-factor	0.1482
Rwork	0.147
R-free	0.16880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ManDH5 Native structure
RMSD bond length	0.010
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	xia2 (CCP4i2 7.0.078)
Phasing software	PHASER (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.440	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	143534	7037
<I/σ(I)>	14	2.2
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1 M MMT buffer pH 7.0, 28% PEG 1500