4NSR

Crystal structure of the Immunity protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	73.984, 78.298, 106.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.115 - 2.795
R-factor	0.2269
Rwork	0.224
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.545
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.795	2.800
Rmerge	0.077	0.401
Number of reflections	15700
<I/σ(I)>	25	3
Completeness [%]		99.4
Redundancy	5.9	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2M Ammonium citrate tribasic, 20% w/v Polyethylene glycol monomethyl ether 2000, 0.1M Imidazole pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K