5ZQ6

SidE-Ubi-ADPr

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	2017-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	92.322, 128.003, 191.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.943 - 3.009
R-factor	0.1828
Rwork	0.180
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zq5
RMSD bond length	0.007
RMSD bond angle	0.987
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	3.100
High resolution limit [Å]	3.000	3.010
Rmerge	0.177
Rmeas	0.191
Rpim	0.070	0.399
Number of reflections	45143
<I/σ(I)>	12.6
Completeness [%]	99.9
Redundancy	7.2
CC(1/2)		0.795

Crystallization Conditions

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