5ZQ5

SidE-Ubi

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	2017-11-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	92.672, 129.084, 191.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.688 - 2.487
R-factor	0.1917
Rwork	0.190
R-free	0.23290
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.711
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.480	2.490
Rmerge	0.127
Rmeas	0.134
Rpim	0.044	0.350
Number of reflections	80934
<I/σ(I)>	13.8
Completeness [%]	100.0
Redundancy	9
CC(1/2)		0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Tacsimate