1IB0

CRYSTAL STRUCTURE OF RAT B5R IN COMPLEX WITH FAD AND NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	99
Detector technology	CCD
Collection date	2001-03-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	67.612, 69.458, 78.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.218 *
Rwork	0.218
R-free	0.26500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i7p
RMSD bond length	0.010 *
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.091	0.315
Number of reflections	15598
<I/σ(I)>	8.5
Completeness [%]	97.3	90.4
Redundancy	4.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 6000, MPD, Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	8 (%)
2	1	reservoir	MPD	5 (%)
3	1	reservoir	HEPES	100 (mM)	pH7.5