2G02

Nisin cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.975
Spacegroup name	I 41
Unit cell lengths	154.941, 154.941, 50.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.18515
Rwork	0.181
R-free	0.24223
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	1.388
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.500	2.500
Rmerge	0.079	0.432
Number of reflections	21345
<I/σ(I)>	23	4
Completeness [%]	99.9	99.9
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	3.5 M Sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	3.5 M Sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	3.5 M Sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	3.5 M Sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	3.5 M Sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K