7EET

Mannanase KMAN from Klebsiella oxytoca KUB-CW2-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLRI BEAMLINE BL7.2W
Synchrotron site	SLRI
Beamline	BL7.2W
Temperature [K]	100
Detector technology	CCD
Collection date	2020-08-30
Detector	RAYONIX SX-165mm
Wavelength(s)	0.97900
Spacegroup name	P 43 21 2
Unit cell lengths	83.547, 83.547, 146.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.040 - 2.570
R-factor	0.20228
Rwork	0.200
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cbw
RMSD bond length	0.007
RMSD bond angle	1.599
Data reduction software	Aimless (0.7.4)
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.070	59.070	2.690
High resolution limit [Å]	2.570	8.910	2.570
Rmerge	0.377	0.096	1.313
Rmeas	0.404	0.102	1.413
Rpim	0.144	0.036	0.517
Number of reflections	17034	17033	744
<I/σ(I)>	7.8
Completeness [%]	99.4
Redundancy	14.3	11.8	13.3
CC(1/2)	0.981	0.998	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	2.0 M Ammonium sulfate, 0.2 M Sodium chloride, 0.1 M Sodium cacodylate buffer (pH 6.5)