5VPD

Transcription factor FosB/JunD bZIP domain in its oxidized form, type-III crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 21 2
Unit cell lengths	92.008, 98.051, 50.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.720 - 2.790
R-factor	0.2547
Rwork	0.249
R-free	0.30020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpa
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.720	44.720	2.820
High resolution limit [Å]	2.790	7.510	2.790
Rmerge	0.108	0.033	0.906
Rmeas	0.116	0.037	0.977
Rpim	0.043	0.015	0.363
Number of reflections	11778
<I/σ(I)>	7.5		2
Completeness [%]	99.9	98.4	100
Redundancy	7.1	6.2	7.1
CC(1/2)		0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	20% (v/v) 2-methyl-2,4-pentanediol (MPD), 0.1 M NaCl, 50 mM sodium cacodylate pH 6 and 10 mM spermine