8TAT

CRYSTAL STRUCTURE OF R9A SPIN LABELED T4 LYSOZYME MUTANT K65R9A/R76R9A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-07-13
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	60.390, 60.390, 95.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.300 - 1.600
R-factor	0.1988
Rwork	0.198
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.874
Data reduction software	XDS (20210323)
Data scaling software	XSCALE (20210323)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.300	52.300	1.640
High resolution limit [Å]	1.600	7.150	1.600
Rmerge	0.082	0.047	0.962
Rmeas	0.086	0.049	1.011
Number of reflections	50346	578	3627
<I/σ(I)>	16.04
Completeness [%]	97.8
Redundancy	10.7
CC(1/2)	0.999	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	2.35M DIBASIC POTASSIUM PHOSPHATE AND MONOBASIC SODIUM PHOSPHATE, 0.15M SODIUM CHLORIDE, 100mM 1,6-HEXANEDIOL, 3% 2-PROPANOL, PH 7.4, VAPOR DIFFUSION, HANGING DROP