1OZ9

Crystal structure of AQ_1354, a hypothetical protein from Aquifex aeolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	58.018, 58.018, 110.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.890 *
R-factor	0.20658
Rwork	0.205
R-free	0.23400 *
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.524
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.200 *	1.943
High resolution limit [Å]	1.890	1.890 *
Rmerge	0.055	0.460 *
Number of reflections	28054 *
<I/σ(I)>	25	2.2
Completeness [%]	96.3 *	85.8 *
Redundancy	9.3 *	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	298	PEG 4K, Na Acetate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.0
3	1	drop		10 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop	EDTA	1 (mM)
6	1	reservoir	sodium acetate	200 (mM)
7	1	reservoir	Tris-HCl	100 (mM)	pH8.5
8	1	reservoir	PEG4000	30 (%)