7VW7

Crystal structure of the 2 ADP-AlF4-bound V1 complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980000
Spacegroup name	P 21 21 21
Unit cell lengths	127.740, 128.870, 231.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.128 - 3.818
R-factor	0.2281
Rwork	0.226
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr5
RMSD bond length	0.003
RMSD bond angle	0.509
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.128	46.128	4.050
High resolution limit [Å]	3.818	11.190	3.818
Rmerge	0.172	0.036	0.953
Rmeas	0.199	0.042	1.105
Number of reflections	71426	2797	11449
<I/σ(I)>	7.61	31.43	1.54
Completeness [%]	99.5	97.9	99
Redundancy	3.904	3.706	3.881
CC(1/2)	0.993	0.998	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	Bis Tris propane, NaF, PEG-3350