3KYU

X-ray crystal structure determination of fully perdeuterated rubredoxin at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-09
Detector	MAR225
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	33.889, 34.632, 43.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.040 - 1.100
R-factor	0.10736
Rwork	0.106
R-free	0.12485
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1brf
RMSD bond length	0.015
RMSD bond angle	1.612
Data reduction software	ELVES
Data scaling software	ELVES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.040
High resolution limit [Å]	1.100
Number of reflections	21196

Crystallization Conditions

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