1NI9

2.0 A structure of glycerol metabolism protein from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-22
Detector	CUSTOM-MADE
Wavelength(s)	0.9793, 0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	61.453, 61.453, 171.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 * - 2.100 *
R-factor	0.18934
Rwork	0.187
R-free	0.25000 *
Structure solution method	MAD
RMSD bond length	0.018 *
RMSD bond angle	1.430 *
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100 *	2.100 *
Rmerge	0.073 *	0.525 *
Number of reflections	22955
Completeness [%]	99.8 *	98.1 *
Redundancy	9.2 *	8.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.4 *	21 *
1	Vapor diffusion, hanging drop *	4.4 *	21 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	7 (%)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	sodium acetate	0.1 (M)	pH4.4