5K9P

Ser20 phosphorylated ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	49.520, 49.520, 53.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.497 - 1.550
R-factor	0.1917
Rwork	0.190
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1UBQ(1-71)
RMSD bond length	0.015
RMSD bond angle	1.421
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.500	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.102	0.578
Number of reflections	10779
<I/σ(I)>	6.4	1.9
Completeness [%]	95.3	91.3
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	45% (w/v) PEG 400, 100 mM tris-HCl