8BRF

YopQ apo from Yersinia enterocolitica

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976200
Spacegroup name	I 21 21 21
Unit cell lengths	63.492, 75.176, 166.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.505 - 2.740
Rwork	0.231
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF-P27474-F1
RMSD bond length	0.009
RMSD bond angle	1.534
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.510	48.510	2.870
High resolution limit [Å]	2.740	9.090	2.740
Rmerge	0.188	0.041	2.666
Rmeas	0.195	0.042	2.769
Rpim	0.053	0.012	0.745
Total number of observations	142573	3923	19028
Number of reflections	10860	340	1428
<I/σ(I)>	11.8	41.6	1.2
Completeness [%]	100.0	98.9	100
Redundancy	13.1	11.5	13.3
CC(1/2)	0.998	0.999	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl, 2M AmSO4