4YT4

Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii

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	2013-08-29
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	59.810, 59.810, 183.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.760 - 2.200
R-factor	0.1866
Rwork	0.184
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HmdII from M. jannaschii
RMSD bond length	0.014
RMSD bond angle	1.896
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.300
High resolution limit [Å]	2.200	12.000	2.200
Rmerge	0.084	0.052	0.315
Rmeas	0.088	0.055	0.374
Total number of observations	178596
Number of reflections	17675	142	2088
<I/σ(I)>	17.17	39.35	3.7
Completeness [%]	99.5	98.6	96.6
Redundancy	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	281	50% (v/v) PEG200, 0.1 M Na/K-phosphate, 0.2 M NaCl