8HT1

CRYSTAL STRUCTURE OF A MUTANT MYLU-B-67 FOR 2.4 ANGSTROM, 52M 53Q 54Q 55P 56W DELETED

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9870
Spacegroup name	C 2 2 21
Unit cell lengths	75.756, 81.034, 143.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.890 - 2.400
R-factor	0.21125
Rwork	0.208
R-free	0.27684
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.565
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	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.122	1.271
Number of reflections	17684	1403
<I/σ(I)>	19.636
Completeness [%]	99.4
Redundancy	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	300	0.1 M Calcium acetate hydrate 0.1 M Sodium cacodylate 12 % w/v PEG 8000