9MP8

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 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	77.829, 77.829, 38.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.290 - 1.830
R-factor	0.1769
Rwork	0.175
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.735
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]	38.200	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.156	1.328
Rmeas	0.198	1.442
Rpim	0.062	0.543
Number of reflections	10546	517
<I/σ(I)>	7.2	1
Completeness [%]	97.4	98.1
Redundancy	6.66	6.28
CC(1/2)	0.992	0.568

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