21ZY

The costructure of MitM and mitomycin J 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	2024-07-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 31 2 1
Unit cell lengths	112.745, 112.745, 108.011
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.640 - 2.990
R-factor	0.2277
Rwork	0.222
R-free	0.28420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zc8
RMSD bond length	0.011
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.640	3.150
High resolution limit [Å]	2.990	2.990
Rmerge	0.175	1.178
Rmeas	0.180	1.209
Rpim	0.042	0.270
Total number of observations	303369	47704
Number of reflections	16424	2389
<I/σ(I)>	13.9	2.8
Completeness [%]	99.2
Redundancy	18.5	20
CC(1/2)	0.998	0.912

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 sodium sulfate, 10% w/v ethylene glycol and 20% w/v PEG 4000