22AE

The costructure of MitM and mitomycin F with SAH

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97907
Spacegroup name	P 31 2 1
Unit cell lengths	112.664, 112.664, 107.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.370 - 2.990
R-factor	0.2672
Rwork	0.261
R-free	0.33720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.358
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.370	3.150
High resolution limit [Å]	2.990	2.990
Rmerge	0.112	1.022
Rmeas	0.116	1.054
Rpim	0.029	0.256
Total number of observations	259046	39066
Number of reflections	16050	2339
<I/σ(I)>	17.6	2.9
Completeness [%]	97.9
Redundancy	16.1	16.7
CC(1/2)	0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M Bis-Tris propane pH 6.5, 0.2 M potassium sodium tartrate, 10% w/v ethylene glycol and 20% w/v PEG 3350