6FJL

Structure of IbpS from Dickeya dadantii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97301
Spacegroup name	P 1 21 1
Unit cell lengths	77.447, 112.313, 78.722
Unit cell angles	90.00, 95.53, 90.00

Refinement procedure

Resolution	47.547 - 1.700
R-factor	0.17613569009
Rwork	0.175
R-free	0.20586
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.550	47.547	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.058	0.023	0.611
Rmeas	0.069	0.027	0.728
Rpim	0.036	0.014	0.392
Number of reflections	146429	4740	21285
<I/σ(I)>	8.6	22.2	1.2
Completeness [%]	99.7	99.6	99.4
Redundancy	3.4	3.4	3.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	24% PEG 4000 Cacodylate Na 50 mM pH 6 Magnesium Acetate 80 mM