5L8X

X-RAY STRUCTURE OF APO METHANOCALDOCOCCUS JANNASCHII METHYLTRANSFERASE SUBUNIT A AT 1.85 ANGSTROM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	64.690, 37.030, 65.160
Unit cell angles	90.00, 91.98, 90.00

Refinement procedure

Resolution	45.108 - 1.850
R-factor	0.1894
Rwork	0.187
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MtrA cytoplasmic Methanothermus fervidus
RMSD bond length	0.009
RMSD bond angle	1.197
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP (11.0.05)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.110	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.123	0.609
Number of reflections	25433
<I/σ(I)>	6.1	2
Completeness [%]	95.4	95.6
Redundancy	2.3	2.3
CC(1/2)	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	281.15	50 mg/ml protein after 2 months incubation, transparent needle-type crystals were reproducibly obtained in 2.2 M D/L-malate pH 7.6, 100 mM Tris-HCl pH 8.0