2G2Q

The crystal structure of G4, the poxviral disulfide oxidoreductase essential for cytoplasmic disulfide bond formation

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97702, 0.97948
Spacegroup name	P 41 21 2
Unit cell lengths	72.594, 72.594, 136.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.229
Rwork	0.225
R-free	0.29100
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.281
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.05)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.082	0.047	0.440
Number of reflections	23962	2348	2430
<I/σ(I)>	13.5
Completeness [%]	99.1
Redundancy	7.9	8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	100mM Citrate Buffer, 20% PEG 1500, 200mM LiSO4, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	100mM Citrate Buffer, 20% PEG 1500, 200mM LiSO4, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K