9DJF

T4 Lysozyme T109H/G113H 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	2022-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9794
Spacegroup name	P 32 2 1
Unit cell lengths	59.882, 59.882, 97.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.520 - 1.730
R-factor	0.1624
Rwork	0.159
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.062
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	1.770
High resolution limit [Å]	1.730	1.730
Number of reflections	21841	1526
<I/σ(I)>	14.8	2.9
Completeness [%]	99.7	96
Redundancy	11	9.8
CC(1/2)	0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA. Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 7.0, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol