1P90

The Three-dimensional Structure of the Core Domain of NafY from Azotobacter vinelandii determined at 1.8 resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	120
Detector technology	CCD
Collection date	2002-03-01
Detector	CUSTOM-MADE
Wavelength(s)	0.97
Spacegroup name	P 32 2 1
Unit cell lengths	49.200, 49.200, 99.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.188
Rwork	0.188
R-free	0.26300
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	16.700 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.057	0.346
Number of reflections	24908	2531 *
<I/σ(I)>	43.7	5.6
Completeness [%]	100.0	100
Redundancy	7.2	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	3 ml of NafY protein at 10 mg/ml combined with an equal volume of 13% PEG 10000, 2.5% glycerol, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG10000	13 (%)
3	1	reservoir	glycerol	2.5 (%)
4	1	reservoir	Tris-HCl	100 (mM)	pH8.5