1I7P

CRYSTAL STRUCTURE OF RAT B5R IN COMPLEX WITH FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	99
Detector technology	CCD
Collection date	2000-10-11
Detector	BRANDEIS - B4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.083, 70.666, 78.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.215 *
Rwork	0.215
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PROTEIN ATOMS OF 1NDH
RMSD bond length	0.011 *
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]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.086	0.216
Number of reflections	26290
<I/σ(I)>	11.5
Completeness [%]	99.8	99.1
Redundancy	6.2 *	5.3 *

Crystallization Conditions

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