6C8S

Loganic acid methyltransferase with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-06-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	57.864, 116.218, 136.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.157 - 2.200
R-factor	0.1851
Rwork	0.183
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6e
RMSD bond length	0.007
RMSD bond angle	0.867
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	45507
<I/σ(I)>	15.9
Completeness [%]	100.0
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		282.15	20% PEG 6000, 0.1 M HEPES-NaOH, pH 7.0, 0.2 M NaCl