6EK4

PaxB from Photorhabdus luminescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	104.590, 70.180, 136.890
Unit cell angles	90.00, 108.41, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.24205
Rwork	0.240
R-free	0.26835
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Semet derivative of PaxB
RMSD bond length	0.004
RMSD bond angle	0.696
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmeas	0.069	0.515
Number of reflections	44675
<I/σ(I)>	9.7	1.8
Completeness [%]	95.3	94.7
Redundancy	2.9
CC(1/2)	0.997	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2 M MgCl2; 0.1 M Bis-Tris, 25% PEG 3350; 0.2M NaSCN