9DJQ

T4 Lysozyme T109H/G113H/D127H/V131H co-crystallized with Cu(II)-NTA

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	2023-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	59.854, 59.854, 98.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.620 - 1.280
R-factor	0.1454
Rwork	0.144
R-free	0.17220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
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]	28.620	1.310
High resolution limit [Å]	1.280	1.280
Number of reflections	52347	3236
<I/σ(I)>	16.6	2.9
Completeness [%]	98.8	84.2
Redundancy	10.6	7.7
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	297	Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA. Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol