7X80

The crystal structure of PloI4-C16M/D46A/I137V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97853
Spacegroup name	C 2 2 21
Unit cell lengths	84.960, 174.480, 50.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.390 - 1.970
R-factor	0.174
Rwork	0.172
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x7z
RMSD bond length	0.009
RMSD bond angle	1.131
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.390	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.563	1.373
Number of reflections	26483	1335
<I/σ(I)>	10.8	2.2
Completeness [%]	97.5
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.4 M sodium malonate (pH 6.0)