4GXP

Chimeric Family 1 beta-glucosidase made with non-contiguous SCHEMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 31 1 2
Unit cell lengths	115.377, 115.377, 282.538
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.430 - 3.000
R-factor	0.24164
Rwork	0.239
R-free	0.29377
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.732
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP ((CCP4 6.2))
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.430	37.429	3.160
High resolution limit [Å]	3.000	9.490	3.000
Rmerge		0.025	0.381
Number of reflections	43376
<I/σ(I)>	16.3	23.1	2
Completeness [%]	99.6	97.5	99.6
Redundancy	4.9	4.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300	20% polyethylene glycol 3350, 0.4M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 300K