5OVZ

High resolution structure of the PBP NocT in complex with nopaline

Replaces:  4POX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 32
Unit cell lengths	114.260, 114.260, 37.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.400 - 1.750
R-factor	0.173
Rwork	0.172
R-free	0.19000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4POX
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.750	1.750
Number of reflections	224742
<I/σ(I)>	14.18	1.41
Completeness [%]	99.8	99.5
Redundancy	4
CC(1/2)	0.999	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	30% P4000/ 0.1 M Tris pH 8/ 0.1 M LiSO4