6O6E

Crystal structure of PltF trapped with PltL 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	2018-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11587
Spacegroup name	P 32 2 1
Unit cell lengths	170.550, 170.550, 64.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.420 - 2.140
R-factor	0.2165
Rwork	0.214
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e7w
RMSD bond length	0.009
RMSD bond angle	1.692
Data reduction software	XDS (January 26, 2018)
Data scaling software	XDS (January 26, 2018)
Phasing software	MOLREP (11.2.08)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.420	2.190
High resolution limit [Å]	2.140	2.140
Rmeas	0.280
Number of reflections	59600	5360
<I/σ(I)>	9.73	0.31
Completeness [%]	99.2	90.5
Redundancy	10.03	8.48
CC(1/2)	0.998	0.082

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.73	296	0.1 M malonic acid pH 5.73, 3.18 M sodium formate