21OT

structure of IFP35 NID domain octamer form

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	2011-04-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	44.412, 125.318, 77.175
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	36.714 - 2.500
R-factor	0.2088
Rwork	0.206
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.639
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.800	2.570
High resolution limit [Å]	2.470	2.470
Rmerge	0.110	0.261
Rmeas	0.156	0.370
Rpim	0.139	0.432
Number of reflections	29302	2402
<I/σ(I)>	21	7.6
Completeness [%]	98.6	93.2
Redundancy	1.8	1.9
CC(1/2)	0.973	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
2	VAPOR DIFFUSION, HANGING DROP		289	0.2M ammonium sulfate, 0.1M Bis-Tris pH5.5, 22% (w/v) polyethylene glycol 3350
2	VAPOR DIFFUSION, HANGING DROP		289	0.2M ammonium sulfate, 0.1M Bis-Tris pH5.5, 22% (w/v) polyethylene glycol 3350