1DDI

CRYSTAL STRUCTURE OF SIR-FP60

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	98.610, 98.610, 123.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.510
Rwork	0.185
R-free	0.24500
Structure solution method	MIR
RMSD bond length	0.021 *
RMSD bond angle	0.036 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.510
Rmerge	0.099
Total number of observations	212439 *
Number of reflections	23679
<I/σ(I)>	6.2
Completeness [%]	98.4
Redundancy	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))