4YT5

HmdII from Methanocaldococcus jannaschii with bound methylene-tetrahydromethanopterin

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	2014-08-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	53.000, 78.030, 153.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.843 - 1.900
R-factor	0.1818
Rwork	0.180
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HmdII from M. jannaschii
RMSD bond length	0.009
RMSD bond angle	1.213
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.900	12.000	1.900
Rmerge	0.055	0.024	0.836
Rmeas	0.060	0.027	0.917
Total number of observations	277687
Number of reflections	50698	237	7077
<I/σ(I)>	18.81	56.32	2.91
Completeness [%]	99.0	92.6	98.7
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	281	40% (v/v) PEG 300, 100 mM phosphate-citrate buffer