6GF3

Tubulin-Jerantinine B acetate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	104.720, 158.150, 180.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.958 - 2.400
R-factor	0.2009
Rwork	0.198
R-free	0.25070
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4o2b
RMSD bond length	0.003
RMSD bond angle	0.552
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.152	3.936
Rmeas	0.159	4.101
Number of reflections	117441	8572
<I/σ(I)>	12.5
Completeness [%]	99.7	99.6
Redundancy	12.7	12.8
CC(1/2)	0.999	0.204

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	293	10% PEG 4K, 12% GLYCEROL, 30 MM REMARK 280 MGCL2, 30 MM CACL2, 100 MM MES/IMIDAZOLE