3WB1

HcgB 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	2011-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.008
Spacegroup name	P 1 21 1
Unit cell lengths	52.829, 114.831, 53.812
Unit cell angles	90.00, 119.53, 90.00

Refinement procedure

Resolution	46.057 - 2.400
R-factor	0.1942
Rwork	0.191
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3brc
RMSD bond length	0.005
RMSD bond angle	0.965
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.600
High resolution limit [Å]	2.400	9.000	2.400
Rmerge	0.041	0.013	0.246
Rmeas		0.018	0.338
Number of reflections	19680	376	3764
<I/σ(I)>	12.32	46.75	2.83
Completeness [%]	89.5	86.4	81.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	40% (w/v) pentaerythritol propoxylate 426, 400mM ammonium sulfate, 100mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K