6BM5

Crystal Structure of the MetH Reactivation Domain bound to AdoMet

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	CCD
Collection date	2016-08-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	38.098, 61.669, 139.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.199 - 1.500
R-factor	0.1482
Rwork	0.146
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1MSK
RMSD bond length	0.007
RMSD bond angle	0.899
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.060	0.043	0.233
Rmeas	0.067	0.048	0.268
Rpim	0.028	0.020	0.129
Total number of observations	285503
Number of reflections	53119	2787	2367
<I/σ(I)>	12.8
Completeness [%]	98.5	94.5	88.8
Redundancy	5.4	5.3	3.7
CC(1/2)		0.997	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	28% PEG 6000, 100mM Tris pH 7.4, 300mM magnesium acetate:15mg/mL protein, 3mM AdoMet, 10mM Tris 7.2, 10mM EDTA, 3:3uL