1M1H

Crystal structure of Aquifex aeolicus N-utilization substance G (NusG), Space group I222

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.95
Spacegroup name	I 2 2 2
Unit cell lengths	81.100, 86.200, 108.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.950
R-factor	0.234
Rwork	0.234
R-free	0.25900
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.420
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.074 *	0.504 *
Number of reflections	27602
<I/σ(I)>	30	2.3
Completeness [%]	98.5	98.4
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2 *	18 *	PEG 4000, 2-Propanol, Sodium Chloride, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES/Tris	0.1 (M)	pH5.8
2	1	reservoir	PEG4000	10 (%)
3	1	reservoir	2-propanol	20 (%)
4	1	reservoir		0.1 (M)
5	1	drop	Tris-HCl	20 (mM)	pH7.0
6	1	drop		50 (mM)
7	1	drop	DNA	1 (M)