4ZQW

CdiI from Escherichia coli EC869 in complex with a macrocyclic peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	34.779, 128.166, 44.953
Unit cell angles	90.00, 112.73, 90.00

Refinement procedure

Resolution	34.811 - 2.001
R-factor	0.1878
Rwork	0.184
R-free	0.23080
RMSD bond length	0.009
RMSD bond angle	1.222
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	23561
<I/σ(I)>	11.1	3.1
Completeness [%]	96.5
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2 M Sodium Acetate, 0.1 M bis-tris propane, pH 6.9, 20% PEG 3350