7DBC

PRA 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	105.417, 158.270, 180.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.923 - 2.400
R-factor	0.1986
Rwork	0.198
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	HKL-2000
Data scaling software	Aimless (0.7.3)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.923	19.920	2.440
High resolution limit [Å]	2.400	13.150	2.400
Rmerge	0.112	0.068	0.858
Rmeas	0.122	0.074	0.930
Rpim	0.047	0.030	0.357
Total number of observations		3321	38700
Number of reflections	118342	573	5789
<I/σ(I)>	10.3	21	2.2
Completeness [%]	99.8	71.4	100
Redundancy	6.8	5.8	6.7
CC(1/2)	0.995	0.991	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCL2, pH 6.7