5N38

S65DParkin and pUB complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 63 2 2
Unit cell lengths	146.540, 146.540, 88.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.560 - 2.600
R-factor	0.1891
Rwork	0.186
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c1z 5caw
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.560	2.760
High resolution limit [Å]	2.600	2.600
Rmerge		0.480
Number of reflections	17000
<I/σ(I)>	9.1	2.2
Completeness [%]	96.4	88.4
Redundancy	3.5	3.2
CC(1/2)		0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100mM Tris pH 8.5, 200mM TMAO, PEG MME 2000