4AR4

Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.

Experimental procedure

Source type	NUCLEAR REACTOR
Source details	ILL BEAMLINE D19
Synchrotron site	ILL
Beamline	D19
Detector technology	5ATM 3HE, CURVED 120X30 DEGREES
Detector	INSTITUT LAUE LANGEVIN DETECTOR GROUP
Spacegroup name	P 21 21 21
Unit cell lengths	34.375, 35.183, 43.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.465 - 1.381
R-factor	0.1881
Rwork	0.186
R-free	0.22640
RMSD bond length	0.005
RMSD bond angle	0.865
Data reduction software	RETREAT
Data scaling software	RETREAT
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	27.420
High resolution limit [Å]	1.380
Rmerge	0.070
Rmeas	0.084
Number of reflections	10521
<I/σ(I)>	12.1
Completeness [%]	93.1
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.2		pH 6.2