7PDI

Crystal structure of the holo-acyl carrier protein (holo-AcpP) from Pseudomonas putida KT2440. Produced as an apo/holo mixture.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	44.492, 56.973, 61.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.988 - 1.690
Rwork	0.205
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t8k
RMSD bond length	0.009
RMSD bond angle	1.555
Data reduction software	DIALS (2.210-g6dafd9427)
Data scaling software	DIALS (2.210-g6dafd9427)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.988	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.070
Number of reflections	9120	459
<I/σ(I)>	14.05
Completeness [%]	100.0	100
Redundancy	12.3	9.7
CC(1/2)	0.999	0.397

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000, 0.1 M Tris Bicine buffer, pH 8.5, 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate