5B3L

C101S mutant of Flavodoxin from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-11-30
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.678, 98.678, 32.173
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.21819
Rwork	0.216
R-free	0.26923
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.090
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Number of reflections	16694
<I/σ(I)>	37.6
Completeness [%]	98.7
Redundancy	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	2.0M Ammonium sulfate, 0.1M HEPES sodium, 2% PEG 400