5UPI

Crystal structure of BhGH81 mutant in complex with laminaro-biose

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	65.540, 93.680, 159.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.780 - 1.650
R-factor	0.1477
Rwork	0.147
R-free	0.16520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t49
RMSD bond length	0.012
RMSD bond angle	1.391
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.780	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.075	0.228
Rpim	0.031	0.136
Number of reflections	117552
<I/σ(I)>	15.2	4.6
Completeness [%]	99.0	93.1
Redundancy	6.3	3.6
CC(1/2)	0.997	0.934

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