1QFY

PEA FNR Y308S MUTANT IN COMPLEX WITH NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-02-01
Spacegroup name	P 1 21 1
Unit cell lengths	50.280, 110.650, 81.040
Unit cell angles	90.00, 94.38, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.195 *
Rwork	0.196
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD-TYPE PEA FNR
RMSD bond length	0.015
RMSD bond angle	1.790
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.064 *	0.261 *
Total number of observations	277996 *
Number of reflections	65999
<I/σ(I)>	9	3.1
Completeness [%]	81.0	66.9 *
Redundancy	4.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	25 *	pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.5 (mg/ml)
2	1	drop	potassium phosphate	5 (mM)
3	1	reservoir	ammonium sulfate	2.1 (M)
4	1	reservoir	Tris-HCl	0.1 (M)