6R2M

Crystal structure of PssZ from Listeria monocytogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	40.080, 71.560, 131.300
Unit cell angles	90.00, 95.80, 90.00

Refinement procedure

Resolution	43.540 - 1.617
R-factor	0.1705
Rwork	0.169
R-free	0.19980
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.540	1.675
High resolution limit [Å]	1.617	1.617
Number of reflections	91306	8707
<I/σ(I)>	59.37
Completeness [%]	94.6
Redundancy	10.6
CC(1/2)	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	7% PEG 400 (v/v), 24% PEG 5000 MME 0.1 M imidazole pH 7.0