3AHT

Crystal structure of rice BGlu1 E176Q mutant in complex with laminaribiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	105
Detector technology	CCD
Collection date	2007-07-31
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.704, 101.476, 128.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.700 - 2.800
R-factor	0.20737
Rwork	0.205
R-free	0.24836
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f4v
RMSD bond length	0.006
RMSD bond angle	1.108
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.0 (rigid body refinement for isomorphous crystal))
Refinement software	REFMAC (5.0 (rigid body refinement for isomorphous crystal))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	2.940
High resolution limit [Å]	2.800	2.800
Rmerge	0.117	0.341
Number of reflections	25956
<I/σ(I)>	16.1	5.8
Completeness [%]	99.0	97.1
Redundancy	6.1	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	288	22% PEG MME 5000, 0.18M AMMONIUM, SULFATE, 0.1M MES, SOAKED WITH 0.010 M LAMINARIBIOSE, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 288K