8UZL

Designed Transmembrane beta-barrel- TMB10_163

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000040
Spacegroup name	P 1 21 1
Unit cell lengths	55.628, 52.552, 100.050
Unit cell angles	90.00, 93.67, 90.00

Refinement procedure

Resolution	55.510 - 2.500
R-factor	0.2288
Rwork	0.227
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.440
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.510	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.126	0.923
Rpim	0.069	0.493
Number of reflections	38215	1961
<I/σ(I)>	4.26	0.36
Completeness [%]	98.9	98.54
Redundancy	4.3	4.5
CC(1/2)	0.990	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	3.25M 1,6 Hexanediol and 0.01 M HEPES pH 7.5