9DJI

T4 Lysozyme R119H/Q123H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9794
Spacegroup name	P 32 2 1
Unit cell lengths	60.149, 60.149, 96.617
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.720 - 1.100
R-factor	0.143
Rwork	0.143
R-free	0.15400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.833
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.720	1.130
High resolution limit [Å]	1.100	1.100
Number of reflections	79801	4996
<I/σ(I)>	19.2	2.2
Completeness [%]	97.0	83.1
Redundancy	10.4	6.4
CC(1/2)	0.999	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	Protein: 0.33 mM T4 lysozyme mutant. Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol