7WPY

AndA_M119A_N121V variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	72.517, 73.763, 97.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.450 - 2.250
R-factor	0.1901
Rwork	0.188
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zm2
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.740	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.088	0.539
Number of reflections	48937	4453
<I/σ(I)>	8.3	2.2
Completeness [%]	99.9
Redundancy	3.8
CC(1/2)	0.996	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	28% PEG3350, 0.2 M LiCl, 5% DMF