5KNB

Crystal structure of the 2 ADP-bound V1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.100
Spacegroup name	P 21 21 21
Unit cell lengths	127.350, 129.620, 237.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.552 - 3.251
R-factor	0.2107
Rwork	0.209
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr4
RMSD bond length	0.003
RMSD bond angle	0.673
Data scaling software	XDS
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.450
High resolution limit [Å]	3.251	3.251
Rmerge		1.064
Number of reflections	62128
<I/σ(I)>	10.33	1.88
Completeness [%]	99.4	97.2
Redundancy	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	PEG3350, sodium fluoride, Bis-tris propane