9DJD

T4 Lysozyme A73H/G77H/Y139F 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	2024-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	59.989, 59.989, 96.201
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.630 - 1.110
R-factor	0.1506
Rwork	0.150
R-free	0.15880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.630	1.140
High resolution limit [Å]	1.110	1.110
Number of reflections	80143	5669
<I/σ(I)>	22.4	2.5
Completeness [%]	99.8
Redundancy	10.3	5.9
CC(1/2)	1.000	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	Protein: 0.33 mM T4 lysozyme mutant, 2.64 mM Cu(II)-NTA. Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol