6KPP

BNC105 in complex with tubulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	105.455, 157.664, 183.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.266 - 2.745
R-factor	0.196346564371
Rwork	0.194
R-free	0.23479
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
RMSD bond length	0.003
RMSD bond angle	0.738
Data reduction software	HKL-3000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.740	2.750
Number of reflections	79756	7408
<I/σ(I)>	20.3
Completeness [%]	98.7	93.5
Redundancy	6.6
CC(1/2)	0.989	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	6% PEG, 5% glycerol, 0.1M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7