9MOZ

Crystal structure of mithramycin analogue MTM SA-5-methyl-Trp in complex with DNA AGAGGCCTCT

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	93.471, 93.471, 65.405
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.470 - 2.230
R-factor	0.22869
Rwork	0.228
R-free	0.24937
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.124
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.230	2.230
Number of reflections	16410	810
<I/σ(I)>	39
Completeness [%]	100.0
Redundancy	8.2
CC(1/2)	1.000	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	Reservoir: 10-35% v/v 2-methyl-2,4-pentanediol Drop: 0.5 mM double-stranded DNA, 1.0 mM MTM analogue, 10 mM sodium cacodylate pH 6.0, 4 mM zinc acetate dihydrate and 2 mM spermine