7EE4

Crystal structure of Neu5Ac bound PltC

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	2020-06-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	H 3
Unit cell lengths	189.447, 189.447, 41.526
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.180 - 1.400
R-factor	0.152
Rwork	0.151
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wht
RMSD bond length	0.019
RMSD bond angle	1.748
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.180	1.450
High resolution limit [Å]	1.400	1.400
Rmeas	0.070	0.382
Number of reflections	109189	10912
<I/σ(I)>	43.53
Completeness [%]	99.7
Redundancy	4.5	3.4
CC(1/2)	0.995	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	34% PEG500MME and 0.1M sodium citrate