9DPR

BMP-9 Wild-Type Dimer with Radiation Damage in Acidic 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	2022-04-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	71.044, 71.044, 145.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.340 - 2.610
R-factor	0.2153
Rwork	0.212
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.007
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]	41.340	2.730
High resolution limit [Å]	2.610	2.610
Rmerge	0.301	2.521
Rmeas	0.357	3.017
Rpim	0.188	1.610
Number of reflections	5804	684
<I/σ(I)>	4.9	1.7
Completeness [%]	98.0	97.9
Redundancy	5.4	5.5
CC(1/2)	0.953	0.265

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	289.15	1M NaCl, 3.5% PEG8K, 0.3M Sodium Citrate pH 3.5