5KND

Crystal structure of the Pi-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	CCD
Collection date	2011-10-26
Detector	ADSC QUANTUM 270
Wavelength(s)	1.100
Spacegroup name	P 21 21 21
Unit cell lengths	128.220, 128.352, 228.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.036 - 2.888
R-factor	0.2088
Rwork	0.206
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr6
RMSD bond length	0.003
RMSD bond angle	0.753
Data scaling software	SCALEPACK
Phasing software	MOLREP (10.2.31)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.990
High resolution limit [Å]	2.888	6.220	2.890
Rmerge	0.157	0.079	0.824
Number of reflections	84568
<I/σ(I)>	8.7
Completeness [%]	99.9	99.4	100
Redundancy	6.6	6.9	5.3

Crystallization Conditions

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