5C1Z

Parkin (UblR0RBR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	.9174
Spacegroup name	P 21 21 21
Unit cell lengths	67.310, 67.320, 206.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.360 - 1.790
R-factor	0.1925
Rwork	0.192
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k95
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.360	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.049	0.560
Number of reflections	87891
<I/σ(I)>	11.2	1.8
Completeness [%]	98.8	97.6
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	277	LiSO4, PEG3350