6RTQ

Hoefavidin P61C mutant generates a stabilized octamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.978
Spacegroup name	P 62 2 2
Unit cell lengths	81.885, 81.885, 130.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.980 - 2.000
R-factor	0.23
Rwork	0.227
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z6j
RMSD bond length	0.014
RMSD bond angle	2.080
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.480	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.040	0.784
Number of reflections	18089	1313
<I/σ(I)>	17.8
Completeness [%]	99.7	99.1
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.5-1.8 M LI2SO4 AND 0.1 M HEPES (PH 7.5-7.7)