7JFR

Auristatin bound to tubulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	80
Detector technology	CMOS
Collection date	2014-12-22
Detector	NOIR-1
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	104.491, 155.148, 181.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.740 - 2.350
R-factor	0.226
Rwork	0.226
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iyz
RMSD bond length	0.004
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.740	2.470
High resolution limit [Å]	2.350	2.350
Rmeas	0.223
Number of reflections	122361	17271
<I/σ(I)>	9.98	0.37
Completeness [%]	99.6
Redundancy	7.1
CC(1/2)	0.996	0.125

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	5% PEG, 12% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 0.1M MES/0.1M imidazole