4PK4

Myosin VI motor domain in the PPS state - from a Pi release state crystal, space group P212121 after long soaking with PO4

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	CCD
Collection date	2011-07-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	93.590, 94.790, 101.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 2.780
R-factor	0.1908
Rwork	0.187
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v26
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.780	2.780
Rmerge	0.127	1.125
Number of reflections	23205
<I/σ(I)>	16.53	1.35
Completeness [%]	99.3	98.1
Redundancy	7.23	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	6,6% PEG8k, 50mM Tris pH8,5, 1mM TCEP, 3% Glycerol then soaked during 45 minutes with 100mM NaH2PO4 pH7,5