9MP3

Mix & Quench Time Resolved Lysozyme - NAG1 Complex (0 ms)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9686
Spacegroup name	P 43 21 2
Unit cell lengths	77.462, 77.462, 38.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.770 - 1.300
R-factor	0.1815
Rwork	0.179
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.748
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]	77.450	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.048	0.442
Rmeas	0.052	0.509
Rpim	0.019	0.245
Number of reflections	26820	1367
<I/σ(I)>	18.9	1.2
Completeness [%]	91.7	93.44
Redundancy	6.45	3.89
CC(1/2)	0.999	0.844

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