1QFZ

PEA FNR Y308S MUTANT IN COMPLEX WITH NADPH

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	50.360, 110.090, 80.920
Unit cell angles	90.00, 93.92, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.201 *
Rwork	0.201
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Y308S:NADP+
RMSD bond length	0.019
RMSD bond angle	1.900
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.058 *	0.334 *
Total number of observations	357117 *
Number of reflections	92562
<I/σ(I)>	9	2.4
Completeness [%]	96.1	90.6
Redundancy	3.9	3

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)