7DW8

Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	56.194, 109.375, 150.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.900
R-factor	0.1626
Rwork	0.161
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3civ
RMSD bond length	0.011
RMSD bond angle	1.653
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	68892	6531
<I/σ(I)>	16.5
Completeness [%]	93.5
Redundancy	11.9
CC(1/2)	0.871	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	tacsimate pH 7.0