3BNK

X-ray crystal structure of Flavoredoxin from Methanosarcina acetivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-05-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5414
Spacegroup name	P 21 21 21
Unit cell lengths	62.033, 74.828, 75.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.214
Rwork	0.208
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.361
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.120
High resolution limit [Å]	2.050	4.410	2.050
Rmerge	0.095	0.036	0.440
Number of reflections	22357
<I/σ(I)>	9.7
Completeness [%]	98.3	99.9	84.9
Redundancy	15.2	15.3	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris-HCl (pH 8.0), 0.1 M NaBr, 30 % PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K