8ECP

R16A PA0709 with BME modifications

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	62.783, 62.783, 120.367
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.390 - 1.500
R-factor	0.1788
Rwork	0.176
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished
RMSD bond length	0.006
RMSD bond angle	0.914
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.390	1.520
High resolution limit [Å]	1.500	1.500
Rmerge	0.050	0.364
Rmeas	0.061	0.451
Rpim	0.035	0.264
Number of reflections	28306	1350
<I/σ(I)>	16.3	3.1
Completeness [%]	99.6	96.4
Redundancy	5.7	5.4
CC(1/2)	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium cacodylate pH 6.5, 0.2 M magnesium acetate, 30 % PEG 8000