7WRP

Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9784
Spacegroup name	P 41 21 2
Unit cell lengths	48.886, 48.886, 111.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.568 - 1.794
R-factor	0.1965
Rwork	0.196
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c4q
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.794	4.880	1.800
Rmerge	0.121	0.095	0.591
Rmeas	0.125	0.098	0.603
Rpim	0.028	0.023	0.122
Number of reflections	13451	786	667
<I/σ(I)>	7.4
Completeness [%]	100.0	100	100
Redundancy	22.2	19.4	24.3
CC(1/2)		0.997	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	293	0.2 M (NH4)2SO4, 0.1 M NaAc??3H2O pH 4.6, 25% w/v PEG 4,000, VAPOR DIFFUSION, Sitting DROP, temperature 293K