5ZQ3

PDE-Ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	193
Detector technology	PIXEL
Collection date	2018-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	96.628, 55.888, 99.745
Unit cell angles	90.00, 110.50, 90.00

Refinement procedure

Resolution	49.109 - 2.182
R-factor	0.1891
Rwork	0.188
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zq5
RMSD bond length	0.004
RMSD bond angle	0.910
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.084
Rmeas	0.092	0.984
Rpim	0.035	0.396
Number of reflections	48429
<I/σ(I)>	20
Completeness [%]	98.9
Redundancy	6.7
CC(1/2)	0.996	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 10000, Bicine