7RFT

Domain 1 of Starch adherence system protein 20 (Sas20) from Ruminococcus bromii with maltotriose

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]	100
Detector technology	CCD
Collection date	2018-08-01
Detector	RAYONIX MX300-HS
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	121.837, 64.668, 64.734
Unit cell angles	90.00, 102.76, 90.00

Refinement procedure

Resolution	29.520 - 1.530
R-factor	0.1761
Rwork	0.175
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7raw
RMSD bond length	0.003
RMSD bond angle	1.203
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.047	0.023	1.444
Rmeas	0.053	0.026	1.671
Rpim	0.025	0.012	0.828
Total number of observations	339801
Number of reflections	74182	3807	3699
<I/σ(I)>	10.7
Completeness [%]	100.0	99.6	99.9
Redundancy	4.6	4.5	4
CC(1/2)		0.999	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	27% PEG 4000, 0.2M MgCl, 0.1M Tris