9DJR

T4 Lysozyme T115H/R119H/K147H/T151H 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	2022-10-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 32 2 1
Unit cell lengths	59.479, 59.479, 95.757
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.400 - 1.330
R-factor	0.1497
Rwork	0.149
R-free	0.16560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.022
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]	28.400	1.360
High resolution limit [Å]	1.330	1.330
Number of reflections	45833	3037
<I/σ(I)>	11.7	2.5
Completeness [%]	99.4	91.4
Redundancy	10.9	9.7
CC(1/2)	0.996	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA. Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol