3SCU

Crystal Structure of Rice BGlu1 E386G Mutant Complexed with Cellopentaose

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	2009-01-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.468, 100.782, 127.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.020 - 1.580
R-factor	0.17385
Rwork	0.173
R-free	0.19214
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rgl
RMSD bond length	0.010
RMSD bond angle	1.377
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0110)
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.640
High resolution limit [Å]	1.580	1.580
Number of reflections	139830
<I/σ(I)>	23.7	3.9
Completeness [%]	100.0	100
Redundancy	6	6

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, 0.002M cellopentaose, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 288.0K