6CZG

Structure of a redesigned beta barrel, b11L5F_LGL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	84.920, 35.314, 59.554
Unit cell angles	90.00, 90.87, 90.00

Refinement procedure

Resolution	29.774 - 2.200
R-factor	0.231
Rwork	0.226
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Design
RMSD bond length	0.002
RMSD bond angle	0.697
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.029	0.025	0.064
Rmeas	0.032	0.027	0.069
Rpim	0.012	0.011	0.026
Number of reflections	9069	490	437
<I/σ(I)>	19.7
Completeness [%]	98.5	98.6	98.6
Redundancy	7.4	6.8	7.3
CC(1/2)		0.999	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Bis-Tris pH 6.5, 45% Polypropylene glycol P 400