7UWV

CBM74 from Ruminococcus bromii Sas6 with maltodecaose

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]	100
Detector technology	CCD
Collection date	2021-10-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	69.690, 160.071, 67.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.040 - 1.700
R-factor	0.1739
Rwork	0.173
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uwu
RMSD bond length	0.004
RMSD bond angle	1.292
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.040	80.040	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.053	0.024	0.677
Rmeas	0.057	0.026	0.740
Rpim	0.023	0.011	0.296
Total number of observations	512902	15884	74784
Number of reflections	84139	2873	12121
<I/σ(I)>	17.2	46.6	2.5
Completeness [%]	99.9	99.2	100
Redundancy	6.1	5.5	6.2
CC(1/2)	0.999	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	30% Tacsimate, 0.1M HEPES