5UJD

SbnI from Staphylococcus pseudintermedius

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	2016-05-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	78.760, 111.390, 67.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.623 - 2.100
R-factor	0.2197
Rwork	0.218
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uje
RMSD bond length	0.004
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.623	46.623	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.082	0.030	0.996
Rmeas	0.087	0.032	1.061
Total number of observations	318845
Number of reflections	35480	468	2538
<I/σ(I)>	16.91	53.67	2.11
Completeness [%]	99.8	98.1	98.8
Redundancy	8.987	7.541	8.424
CC(1/2)	0.999	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	4 M sodium formate