3KYY

Joint Xray/neutron crystal structure determination of H-labeled perdeuterated rubredoxin at 295K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	295
Detector technology	CCD
Collection date	2008-03-09
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	34.238, 35.096, 43.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.400 - 1.660
R-factor	0.188
Rwork	0.187
R-free	0.20200
RMSD bond length	0.014
RMSD bond angle	1.426
Data reduction software	LAUEGEN
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	27.400
High resolution limit [Å]	1.100
Number of reflections	21725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				3.8 M sodium/potassium phosphate, hanging drop
1				3.8 M sodium/potassium phosphate, hanging drop