9MPA

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 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	77.821, 77.821, 37.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.800 - 1.850
R-factor	0.1866
Rwork	0.184
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.768
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]	55.030	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.165	1.273
Rmeas	0.179	1.379
Rpim	0.069
Number of reflections	10351	518
<I/σ(I)>	8.7	1.1
Completeness [%]	99.8	100
Redundancy	6.5	6.75
CC(1/2)	0.992	0.595

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