5UPN

Crystal structure of BhGH81 mutant in complex with laminaro-tetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-09
Detector	RAYONIX MX-300
Wavelength(s)	0.97971
Spacegroup name	P 21 21 21
Unit cell lengths	65.610, 95.390, 158.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.140 - 1.800
R-factor	0.1496
Rwork	0.149
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t49
RMSD bond length	0.007
RMSD bond angle	1.216
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.140	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	0.276
Rpim	0.036	0.116
Number of reflections	89565
<I/σ(I)>	13.7	5.6
Completeness [%]	96.7	91.8
Redundancy	6.7	6
CC(1/2)	0.997	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	15% PEG 10000, 0.2 M ammonium acetate, 0.1 M bis-tris