7THQ

Crystal structure of PltF trapped with PigG using a proline adenosine vinylsulfonamide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	65.730, 132.680, 140.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.610 - 2.460
R-factor	0.2086
Rwork	0.206
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o6e
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.610	2.548
High resolution limit [Å]	2.460	2.460
Rmerge	0.153	2.666
Rmeas	0.160	2.798
Rpim	0.044	0.825
Number of reflections	45189	4110
<I/σ(I)>	13.99
Completeness [%]	99.1	91.27
Redundancy	12.8	10.4
CC(1/2)	0.999	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	35% PEG 3350, 0.50 M NaCl, 0.1 M BTP pH 7.50, and 0.01 M sodium citrate tribasic