1J9G

Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris S64C Mutant, monomer oxidised, at 2.4 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 41 21 2
Unit cell lengths	55.480, 55.480, 126.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.350 - 2.400
R-factor	0.204
Rwork	0.204
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.750
High resolution limit [Å]	2.400	2.400
Rmerge	0.054	0.059
Number of reflections	8255
<I/σ(I)>	10.79
Completeness [%]		98.8
Redundancy	98.8	5.5

Crystallization Conditions

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