1XYV

Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, monomer, semiquinone state

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	CCD
Collection date	2003-12-12
Detector	MARRESEARCH
Wavelength(s)	1.00000
Spacegroup name	P 43 21 2
Unit cell lengths	50.490, 50.490, 137.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.240 - 1.790
R-factor	0.173
Rwork	0.146
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j9g
RMSD bond length	0.033
RMSD bond angle	2.800
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.240	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	11117
Completeness [%]	99.9	99.9
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Ammonium Sulphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K