9MP5

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 ms)

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	2024-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 43 21 2
Unit cell lengths	78.270, 78.270, 37.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.830 - 1.970
R-factor	0.1941
Rwork	0.191
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.851
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX ((1.21rc1_5170: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.520	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.200	1.048
Rmeas	0.217	1.136
Rpim	0.081	0.421
Number of reflections	8501	421
<I/σ(I)>	6.6	1.1
Completeness [%]	98.1	100
Redundancy	6.53	3.4
CC(1/2)	0.986	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	4.6	293	0.1 M sodium acetate pH 4.6, 20 % (w/v) sodium chloride, 5 % PEG 4000. NAG1 soaked at 226 mM in 0.1 M sodium acetate pH 4.6 and 17.5 % (w/v) sodium chloride, 5 % (w/v) PEG 4000, and 10 % (w/v) PEG 400