7LST

Ruminococcus bromii Amy12-D392A with 63-a-D-glucosyl-maltotriosyl-maltotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	120
Detector technology	CCD
Collection date	2016-10-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	46.981, 99.107, 167.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.260 - 2.050
R-factor	0.1824
Rwork	0.180
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lsa
RMSD bond length	0.004
RMSD bond angle	0.877
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.300	2.120
High resolution limit [Å]	2.050	2.050
Number of reflections	49996	4926
<I/σ(I)>	5.9
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.990	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	8.75 - 8.9 mg/ml of protein and 10 mM 63-a-D-glucosyl-maltotriosyl-maltotriose via hanging drop against a well solution containing 16% PEG 3350, 4% glycerol, 0.3 ammonium acetate, and 0.1 M Bis-Tris pH 6.5.