9SOV

CorZ in complex with SAH and myxarylin, Methyltransferase

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	I 1 2 1
Unit cell lengths	83.436, 117.840, 106.910
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	45.380 - 2.700
R-factor	0.2267
Rwork	0.224
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.709
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.380	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.122	1.084
Rpim	0.048	0.428
Number of reflections	26746	3617
<I/σ(I)>	15.2
Completeness [%]	95.7
Redundancy	14.5
CC(1/2)	0.990	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	15-34% precipitant mix 2 (40% v/v ethylene glycol; 20% w/v PEG 8000), 0.09M halogens (0.3M sodium fluoride; 0.3M sodium bromide; sodium iodide) and buffer system 3 pH 8 - 9 (tris(base); bicine)