4WTR

Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	46.764, 52.842, 99.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.920 - 2.270
R-factor	0.18067
Rwork	0.179
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.058
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.920
High resolution limit [Å]	2.268
Number of reflections	11391
<I/σ(I)>	15.62
Completeness [%]	94.9
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25% (w/v) PEG 8000, 0.2M (NH4)2SO4