9DPO

BMP-9 Wild-Type Dimer With Radiation Damage in Neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	71.203, 71.203, 146.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.490 - 2.340
R-factor	0.2012
Rwork	0.199
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.628
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.490	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.181	1.210
Rmeas	0.208	1.305
Rpim	0.099	0.478
Number of reflections	8300	796
<I/σ(I)>	6	1.8
Completeness [%]	99.8	100
Redundancy	7.1	7.3
CC(1/2)	0.984	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289.15	1M NaCl, 17% Glycerol, 0.1 M HEPEs pH 7.5