7LSA

Ruminococcus bromii Amy12 with maltoheptaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	120
Detector technology	CCD
Collection date	2015-02-11
Detector	RAYONIX MX300-HS
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	46.977, 97.960, 167.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.460 - 1.760
R-factor	0.1604
Rwork	0.159
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wan
RMSD bond length	0.005
RMSD bond angle	0.992
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]	48.460	1.820
High resolution limit [Å]	1.760	1.760
Number of reflections	74259	5901
<I/σ(I)>	8.6
Completeness [%]	95.9
Redundancy	4.7
CC(1/2)	0.990	0.260

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	well solution: 16% PEG 3350, 4% glycerol, 0.3 ammonium acetate, and 0.1 M Bis-Tris pH 6.5; protein: 8.75 - 8.9 mg/ml Amy12 with 10mM maltoheptaose