8HSO

CRYSTAL STRUCTURE OF A MUTANT MYLU-B-67 FOR 2.2 ANGSTROM, 52M 53Q 54Q 55P 56W DELETED

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	76.265, 81.832, 144.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.950 - 2.100
R-factor	0.23014
Rwork	0.228
R-free	0.27222
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.572
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.190
Rpim		0.084
Number of reflections	19652	1419
<I/σ(I)>	7.071
Completeness [%]	97.5
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	300	1.0 M Ammonium sulfate 0.1 M Sodium acetate pH 5.0