6GZW

Ferric DtpA from Streptomyces lividans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	60.118, 71.032, 78.089
Unit cell angles	90.00, 92.83, 90.00

Refinement procedure

Resolution	77.990 - 1.410
R-factor	0.1905
Rwork	0.189
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5map
RMSD bond length	0.011
RMSD bond angle	1.513
Data reduction software	EDNA
Data scaling software	Aimless (0.5.29)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.990	1.460
High resolution limit [Å]	1.410	1.410
Rmerge	0.127	1.253
Rmeas	0.141	1.391
Rpim	0.060	0.593
Number of reflections	118339	9905
<I/σ(I)>	7.8
Completeness [%]	93.9	80.4
Redundancy	5.2	5.1
CC(1/2)	0.997	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	Crystals were grown by the vapour diffusion hanging drop method using a ferric protein solution at 13 mg/ml equilibrated against a reservoir consisting of 17-24% PEG 3000 and 50-100 mM sodium citrate, pH 5.5.