7R2W

Mutant S-adenosylmethionine synthetase from E.coli complexed with AMPPNP and methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97626
Spacegroup name	P 42 21 2
Unit cell lengths	86.611, 86.611, 90.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.730 - 1.600
R-factor	0.18391
Rwork	0.182
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p7l
RMSD bond length	0.014
RMSD bond angle	2.013
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.730	1.658
High resolution limit [Å]	1.600	1.600
Rmeas	0.083	4.035
Number of reflections	46194	4536
<I/σ(I)>	26.2	0.4
Completeness [%]	100.0
Redundancy	45.8
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M L-Proline 0.1M Hepes pH 7.56 14% PEG 3350