9DJA

T4 Lysozyme E5H/I9H 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 16M
Wavelength(s)	0.9201
Spacegroup name	P 32 2 1
Unit cell lengths	60.044, 60.044, 96.135
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.660 - 1.330
R-factor	0.1509
Rwork	0.149
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.018
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]	28.690	1.350
High resolution limit [Å]	1.330	1.330
Number of reflections	46552	2142
<I/σ(I)>	9.5	1.8
Completeness [%]	99.7	93.8
Redundancy	8.6	4.9
CC(1/2)	0.997	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	Protein: 0.33 mM T4 lysozyme mutant, 0.825 mM Cu(II)-NTA. Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol.