3WSE

Reduced HcgD 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	2012-11-13
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	95.010, 134.980, 161.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.577 - 2.500
R-factor	0.1955
Rwork	0.194
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyw
RMSD bond length	0.004
RMSD bond angle	0.764
Data scaling software	XSCALE
Phasing software	EPMR
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.091	0.733
Number of reflections	72437
<I/σ(I)>	16.84	3.12
Completeness [%]	99.8	99.7
Redundancy	5.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	10%(w/v) PEG8000, 0.2M NaCl, 0.1M Na/K phosphate, 5mM sodium dithionite, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K