1DDG

CRYSTAL STRUCTURE OF SIR-FP60

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	34.840, 82.540, 105.360
Unit cell angles	79.71, 83.05, 89.90

Refinement procedure

Resolution	10.000 - 2.010
R-free	0.28900
Structure solution method	MOL. REPL.
Starting model (for MR)	SIR60-FL
RMSD bond length	0.012 *
RMSD bond angle	0.024 *
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.010
Rmerge	0.083
Total number of observations	304582 *
Number of reflections	76269 *
<I/σ(I)>	4.5
Completeness [%]	95.9
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	277	AMMONIUM SULFATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	NADP+	2.5 (mM)
3	1	reservoir	Tris-HCl	50 (mM)	pH7.0
4	1	reservoir	ammonium sulfate	2 (M)
5	1	reservoir	MPD	10 (%(w/v))