8ECX

PA0709 with glyoxal and 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	2020-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	109.013, 148.984, 120.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.640 - 2.030
R-factor	0.1672
Rwork	0.165
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished
RMSD bond length	0.003
RMSD bond angle	0.775
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]	49.640	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.149	1.302
Rmeas	0.162	1.409
Rpim	0.061	0.536
Number of reflections	63379	4439
<I/σ(I)>	13.5	2.2
Completeness [%]	100.0	100
Redundancy	13.4	13.4
CC(1/2)	0.998	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12 % PEG 4000, 0.1 M sodium acetate pH 5