1J8Q

Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-08-30
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	50.520, 50.520, 138.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.513 - 1.350
R-factor	0.159
Rwork	0.159
R-free	0.18100
Structure solution method	AB INITIO PHASING
Starting model (for MR)	3fx2
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.510	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.052	0.256
Number of reflections	38342
<I/σ(I)>	9.61
Completeness [%]	95.0	94.4
Redundancy	5.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Ammonium Sulphate, Tris HCl Buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K