5YOC

Crystal Structure of flavodoxin with engineered disulfide bond C102-R125C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-06
Detector	MAR CCD 130 mm
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	32.300, 56.073, 41.328
Unit cell angles	90.00, 100.56, 90.00

Refinement procedure

Resolution	40.629 - 1.500
R-factor	0.1729
Rwork	0.172
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j8q
RMSD bond length	0.006
RMSD bond angle	0.821
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.629
High resolution limit [Å]	1.500
Number of reflections	22931
<I/σ(I)>	15.76
Completeness [%]	98.0
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tris-HCL 0.1M Ammonium Sulfa 3.1M