7ZVO

Structure of CBM BT0996-C from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	34.978, 45.938, 85.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.910 - 1.650
R-factor	0.1759
Rwork	0.174
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	from a previous seleno SAD model
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.910	1.709
High resolution limit [Å]	1.650	1.650
Number of reflections	31987	17221
<I/σ(I)>	15.4
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.990	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	0.1 M Amino acids mix (DL- Glu, Ala, Gly, Lys, Ser), 0.1 M Buffer system 3 (Tris, Bicine pH 8.5) and 37.5% Precipitant Mix 4 (25% MPD, 25% PEG 1000, 25% PEG 3350)