8QKJ

PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133)

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	53.360, 55.130, 69.170
Unit cell angles	68.79, 78.31, 74.92

Refinement procedure

Resolution	25.770 - 1.767
R-factor	0.1862
Rwork	0.185
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.950
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]	64.016	1.797
High resolution limit [Å]	1.767	1.767
Number of reflections	65557	3174
<I/σ(I)>	10.8
Completeness [%]	94.9
Redundancy	1.9
CC(1/2)	0.998	0.751

Crystallization Conditions

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