9SOT

CorZ in complex with SAH, Methyltransferase

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	2021-08-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	I 1 2 1
Unit cell lengths	83.436, 117.877, 107.155
Unit cell angles	90.00, 99.67, 90.00

Refinement procedure

Resolution	45.330 - 2.500
R-factor	0.2088
Rwork	0.207
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.712
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]	45.330	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.073	0.648
Rpim	0.029	0.258
Number of reflections	35017	3860
<I/σ(I)>	20.8
Completeness [%]	98.9
Redundancy	14.1
CC(1/2)	0.990	0.925

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)