3LXD

Crystal Structure of Ferredoxin Reductase ArR from Novosphingobium aromaticivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-04-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	140.071, 140.071, 52.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.010 - 2.500
R-factor	0.19199
Rwork	0.189
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q1r
RMSD bond length	0.007
RMSD bond angle	1.125
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.092	0.455
Number of reflections	18500
<I/σ(I)>	21.1	3.6
Completeness [%]	99.8	99.6
Redundancy	7.1	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	291	0.1M HEPES, 17% PEG 8000, 0.1M potassium phosphate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K