9MP7

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 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	78.069, 78.069, 37.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.030 - 2.150
R-factor	0.1965
Rwork	0.194
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.580
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]	37.810	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.238	1.231
Rmeas	0.257	1.339
Rpim	0.094	0.501
Number of reflections	6255	317
<I/σ(I)>	7.1	1.4
Completeness [%]	92.6	92.56
Redundancy	6.81	6.76
CC(1/2)	0.975	0.486

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