6FBP

Human Methionine Adenosyltransferase II mutant (S114A) in P22121 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	P 2 21 21
Unit cell lengths	62.090, 102.871, 108.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.080 - 1.650
R-factor	0.16467
Rwork	0.163
R-free	0.19456
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a1i
RMSD bond length	0.015
RMSD bond angle	1.760
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.080	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.108	0.566
Rmeas	0.128	0.681
Rpim	0.068	0.372
Number of reflections	81704	4041
<I/σ(I)>	8	1.9
Completeness [%]	97.7	98.4
Redundancy	5.3	5.3
CC(1/2)	0.995	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	30% PEG600 0.1M HEPES