9DPT

BMP-9 G389S 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	2023-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	70.771, 70.771, 145.523
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.040 - 2.490
R-factor	0.2413
Rwork	0.239
R-free	0.27910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.800
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]	50.040	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.392	2.989
Rmeas	0.464	3.650
Rpim	0.243	2.046
Number of reflections	6799	733
<I/σ(I)>	5.1	1.6
Completeness [%]	99.7	98.9
Redundancy	5.9	5.1
CC(1/2)	0.828	0.252

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289.15	1M NaCl, 22-26% glycerol, 0.1 M HEPEs pH 7.5