9MP9

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 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	77.889, 77.889, 37.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.940 - 1.900
R-factor	0.1806
Rwork	0.178
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.734
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]	77.890	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.184	1.136
Rmeas	0.198	1.225
Rpim	0.072	0.445
Number of reflections	9203	456
<I/σ(I)>	7.2	0.9
Completeness [%]	95.8	100
Redundancy	6.74	6.91
CC(1/2)	0.992	0.663

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