6M6P

Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-11-17
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	66.998, 95.644, 72.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.900 - 2.270
R-factor	0.1764
Rwork	0.174
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4crq
RMSD bond length	0.009
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.820	47.820	2.280
High resolution limit [Å]	2.210	9.110	2.210
Rmerge	0.107	0.074	0.704
Rmeas	0.117	0.083	0.772
Rpim	0.046	0.036	0.308
Total number of observations	74218
Number of reflections	11550	195	723
<I/σ(I)>	10.4
Completeness [%]	95.9	96.5	70.7
Redundancy	6.4	5.2	5.8
CC(1/2)	0.997	0.994	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES (pH7.0), 15% (v/v) ethanol, 28% (m/v) PEG20000