8QKG

PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 1
Unit cell lengths	53.380, 55.160, 69.030
Unit cell angles	69.20, 78.30, 74.75

Refinement procedure

Resolution	30.750 - 1.538
R-factor	0.1807
Rwork	0.179
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.056	1.565
High resolution limit [Å]	1.538	1.538
Number of reflections	98435	9163
<I/σ(I)>	10.1
Completeness [%]	94.0
Redundancy	1.9
CC(1/2)	0.998	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.5 M LiSO4, 15% W/V PEG8000