6WBE

Crystal structure of coiled coil region of human septin 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.82652
Spacegroup name	P 21 21 21
Unit cell lengths	26.230, 60.450, 81.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.820 - 2.100
R-factor	0.2102
Rwork	0.208
R-free	0.25650
Structure solution method	AB INITIO PHASING
RMSD bond length	0.015
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	Arcimboldo
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.640	81.640	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.060	0.029	0.306
Rmeas	0.066	0.034	0.335
Rpim	0.027	0.016	0.136
Total number of observations	45377	606	3763
Number of reflections	7988	131	640
<I/σ(I)>	16.4	32	5.6
Completeness [%]	99.2	97.3	99
Redundancy	5.7	4.6	5.9
CC(1/2)	0.999	0.999	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M zinc acetate, 12% w/v PEG 3350