7UQV

Pseudobacteroides cellulosolvens pseudo-CphB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.522
Spacegroup name	P 31 2 1
Unit cell lengths	172.797, 172.797, 116.938
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	92.140 - 2.400
R-factor	0.2018
Rwork	0.200
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3en0
RMSD bond length	0.007
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	149.650	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	76986	6145
<I/σ(I)>	14.96
Completeness [%]	97.8
Redundancy	18.1
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.3 M magnesium formate