5UJE

SbnI with C-terminal truncation from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-12
Detector	RAYONIX MX300HE
Wavelength(s)	0.959
Spacegroup name	P 31
Unit cell lengths	55.120, 55.120, 92.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.438 - 2.500
R-factor	0.2532
Rwork	0.252
R-free	0.27310
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.725
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	PHENIX (phenix.refine: 1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.438	42.438	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.051	0.023	1.007
Rmeas	0.062	0.028	1.243
Total number of observations	63331
Number of reflections	21681	216	1564
<I/σ(I)>	15.77	60.05	1.81
Completeness [%]	99.6	91.5	100
Redundancy	2.922	2.838	2.912
CC(1/2)	0.999	0.998	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.18 M HEPES (pH 7.5), 20% (w/v) PEG 8000