7BQJ

The structure of PdxI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	P 41 21 2
Unit cell lengths	87.163, 87.163, 294.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.788 - 1.980
R-factor	0.1841
Rwork	0.183
R-free	0.20890
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.083
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.12_2829)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.303	0.073	2.574
Rmeas	0.312	0.075	2.673
Rpim	0.074	0.018	0.712
Number of reflections	80965	4459	3965
<I/σ(I)>	3.8
Completeness [%]	100.0	99.5	100
Redundancy	17.7	16.9	13.9
CC(1/2)		0.998	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	16% PEG 8000, 40mM potassium phosphate monobasic, 20% glycerol