9MP6

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 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	77.778, 77.778, 38.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.890 - 2.220
R-factor	0.1962
Rwork	0.193
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.492
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]	77.780	2.260
High resolution limit [Å]	2.220	2.220
Rmerge	0.292	1.139
Rmeas	0.318	1.236
Rpim	0.123	0.472
Number of reflections	6123	307
<I/σ(I)>	5.1	1.7
Completeness [%]	99.3	100
Redundancy	6.41	6.37
CC(1/2)	0.735	0.554

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