1F37

STRUCTURE OF A THIOREDOXIN-LIKE [2FE-2S] FERREDOXIN FROM AQUIFEX AEOLICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	90
Detector technology	CCD
Collection date	1999-06-26
Detector	ADSC QUANTUM 4
Spacegroup name	P 41 21 2
Unit cell lengths	68.079, 68.079, 102.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 2.300
R-factor	0.228
Rwork	0.225
R-free	0.27000
RMSD bond length	0.010
RMSD bond angle	1.530
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.055	0.277
Total number of observations	74834 *
Number of reflections	11218
<I/σ(I)>	24.8
Completeness [%]	99.3	99.8
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	drop consists of equal volume of protein and reservoir solutions *
1	VAPOR DIFFUSION, SITTING DROP	8	295	drop consists of equal volume of protein and reservoir solutions *
1	VAPOR DIFFUSION, SITTING DROP	8	295	drop consists of equal volume of protein and reservoir solutions *
1	VAPOR DIFFUSION, SITTING DROP	8	295	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		0.2 (M)
4	1	reservoir	ammonium sulfate	1.6 (M)
5	1	reservoir	p-dioxane	4-5 (%(v/v))
6	1	reservoir	MES	100 (mM)