4AR6

X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	295
Detector technology	PIXEL
Collection date	2011-07-07
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	34.375, 35.183, 43.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.465 - 0.920
R-factor	0.1288
Rwork	0.129
R-free	0.13610
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	1.247
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.940	0.970
High resolution limit [Å]	0.920	0.920
Rmerge	0.030	0.560
Number of reflections	37464
<I/σ(I)>	21.4	2.1
Completeness [%]	99.2	94.8
Redundancy	6.06	4.22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.2		pH 6.2