3V69

Filia-N crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	38.296, 73.962, 89.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.566 - 2.200
R-factor	0.2081
Rwork	0.205
R-free	0.27260
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.270
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	28.560	2.360
High resolution limit [Å]	2.200	3.750	2.200
Rmerge	0.092	0.014	0.278
Number of reflections	14029
<I/σ(I)>	16.2	25.7	3.6
Completeness [%]	98.0	90	97
Redundancy	5.4	5.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1M MES, 2.0M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, temperature 293K