7E5V

Crystal structure of Phm7 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000000
Spacegroup name	C 1 2 1
Unit cell lengths	91.052, 149.881, 99.270
Unit cell angles	90.00, 97.12, 90.00

Refinement procedure

Resolution	45.216 - 1.610
Rwork	0.183
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Phm7
RMSD bond length	0.012
RMSD bond angle	1.775
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MLPHARE (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.216	1.668
High resolution limit [Å]	1.610	1.610
Number of reflections	169791	16956
<I/σ(I)>	12.59
Completeness [%]	99.8
Redundancy	3.5
CC(1/2)	0.996	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.54-1.62M Ammonium sulfate, 0.1M Tris HCl, 14-19% (v/v) Glycerol