5GLY

Crystal structure of a glycoside hydrolase in complex with cellotetrose from Thielavia terrestris NRRL 8126

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.342, 54.793, 84.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.580
R-factor	0.1534
Rwork	0.152
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oa7
RMSD bond length	0.011
RMSD bond angle	1.570
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.640
High resolution limit [Å]	1.580	3.402	1.580
Rmerge	0.045	0.041	0.187
Number of reflections	31570
<I/σ(I)>	30.6
Completeness [%]	99.7	99.1	99.2
Redundancy	5.3	5.4	5.3
CC(1/2)		0.998	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	MgCl2, Tris-Cl, PEG4000