9DJL

T4 Lysozyme D127H/V131H co-crystallized with Cu(II)-NTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 32 2 1
Unit cell lengths	60.055, 60.055, 96.032
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.660 - 1.180
R-factor	0.1547
Rwork	0.154
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.109
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]	28.660	1.210
High resolution limit [Å]	1.180	1.180
Number of reflections	66327	4547
<I/σ(I)>	19.5	2.7
Completeness [%]	99.5	93.7
Redundancy	10.9	10.4
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	Protein: 0.33 mM T4 lysozyme mutant, 0.66 mM Cu(II)-NTA. Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol