8AHQ

VirD/holo-ACP5b of Streptomyces virginiae complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-09-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95370
Spacegroup name	H 3
Unit cell lengths	144.878, 144.878, 88.781
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.850 - 2.100
R-factor	0.1856
Rwork	0.183
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native
RMSD bond length	0.012
RMSD bond angle	1.789
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.850	36.230	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.125	0.049	1.467
Rmeas	0.131	0.051	1.000
Rpim	0.037	0.015	0.452
Number of reflections	40503	520	3364
<I/σ(I)>	15.5
Completeness [%]	100.0	98.6	100
Redundancy	11.8	12	11.1
CC(1/2)	0.998	0.996	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM chloride calcium, 30% PEG 1500, 10% 2-propanol, 100 mM imidazole-HCl