9E72

HvrF methyltransferase with SAH and pantaphos

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	53.692, 70.206, 72.019
Unit cell angles	90.00, 103.26, 90.00

Refinement procedure

Resolution	33.397 - 1.810
R-factor	0.20257
Rwork	0.201
R-free	0.24006
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.536
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.940	1.910
High resolution limit [Å]	1.810	1.810
Rmerge	0.065	0.601
Rmeas	0.070	0.645
Rpim	0.026	0.234
Total number of observations		51972
Number of reflections	47477	6900
<I/σ(I)>	17.3	2.5
Completeness [%]	100.0
Redundancy	7.4	7.5
CC(1/2)	0.999	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	282.15	100 mM Tris-HCl pH 8.5, 100 mM sodium chloride, and 30% (w/v) polyethylene glycol 3350