4QKO

The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	65.390, 114.420, 120.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.880 - 1.800
R-factor	0.17372
Rwork	0.172
R-free	0.21514
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u43
RMSD bond length	0.018
RMSD bond angle	1.773
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.880	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.062	0.234
Number of reflections	83310
<I/σ(I)>	10.2	2.8
Completeness [%]	100.0	96.4
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M Sodium Bromide, 20% PEG 3350, 0.1M Bis-Tris propane, 0.1% chymotrypsin, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K