4DUI

DARPIN D1 binding to tubulin beta chain (not in complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.980
Spacegroup name	P 41 21 2
Unit cell lengths	43.400, 43.400, 143.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.103 - 1.160
R-factor	0.1254
Rwork	0.123
R-free	0.14930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xee
RMSD bond length	0.013
RMSD bond angle	1.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.530	3.460	1.230
High resolution limit [Å]	1.160	2.450	1.160
Rmerge	0.080
Number of reflections	48400
<I/σ(I)>	14.17
Completeness [%]	99.5	99.5	97.8
Redundancy	5.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	292	0.02M CACL2, 0.1 NA ACETATE, 30% MPD, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K