6CZJ

Structure of a redesigned beta barrel, b10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	42.915, 36.678, 61.912
Unit cell angles	90.00, 91.08, 90.00

Refinement procedure

Resolution	27.880 - 2.100
R-factor	0.1836
Rwork	0.179
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.508
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.020	0.020	0.027
Rmeas	0.021	0.022	0.030
Rpim	0.008	0.008	0.012
Number of reflections	11237	610	483
<I/σ(I)>	36.8
Completeness [%]	97.5	98.7	81.7
Redundancy	7.3	7	6
CC(1/2)		1.000	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES pH 7.5, 2.1 M Ammonium sulfate