5D4T

SeMet-labelled HcgC from Methanocaldococcus jannaschii in space group P212121

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	141.430, 145.000, 150.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.563 - 2.900
R-factor	0.2294
Rwork	0.228
R-free	0.25890
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.663
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		3.000
High resolution limit [Å]	2.900	12.000	2.900
Rmerge	0.130	0.032	1.595
Rmeas	0.140	0.035	1.711
Total number of observations	978478
Number of reflections	132512	1851	12837
<I/σ(I)>	11.49	44.13	1.58
Completeness [%]	99.9	98.2	100
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	281	25 % (w/v) PEP426, 0.1 M Tris-HCl
1	VAPOR DIFFUSION, SITTING DROP	8.5	281	25 % (w/v) PEP426, 0.1 M Tris-HCl