9GPF

ManDH5 E303Q in complex with mannopentaose after co-crystalliztion with mannopentaose 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	2019-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	I 2 2 2
Unit cell lengths	94.568, 98.902, 153.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.623 - 1.600
R-factor	0.1601
Rwork	0.159
R-free	0.17440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native ManDH5
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	xia2 (CCP4 7.8.078)
Phasing software	PHASER (1.14_3228)
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.100	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	94609	4656
<I/σ(I)>	28	5.6
Completeness [%]	100.0	100
Redundancy	13.3	13.7
CC(1/2)	1.000	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M MMT buffer, pH 7.0, 28% PEG 1500, 0.01% Na-azide, 24.2mM Mannopentaose (drop ratio of 1:245 for protein:sugar)