6P11

Structure of spastin AAA domain (T692A mutant) in complex with JNJ-7706621 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 65
Unit cell lengths	79.446, 79.446, 97.171
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.688 - 2.150
R-factor	0.215347370249
Rwork	0.213
R-free	0.24098
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b9p
RMSD bond length	0.002
RMSD bond angle	0.413
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.035	0.391
Number of reflections	18983	940
<I/σ(I)>	10.6	2.667
Completeness [%]	99.8	99.9
Redundancy	5.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M sodium acetate, pH 5.0-7.0, 2% PEG4000, 15% MPD