9MNE

Crystal structure of enteropathogenic Escherichia coli EspC

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	C 1 2 1
Unit cell lengths	213.469, 94.348, 139.831
Unit cell angles	90.00, 108.16, 90.00

Refinement procedure

Resolution	48.200 - 2.940
R-factor	0.166
Rwork	0.163
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.895
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.060
High resolution limit [Å]	2.940	6.350	2.950
Rmerge	0.164	0.048	0.830
Rmeas	0.180	0.052	0.927
Rpim	0.074	0.021	0.404
Number of reflections	55473	5714	5348
<I/σ(I)>	5
Completeness [%]	99.1	99.5	96.2
Redundancy	5.8	6.3	4.7
CC(1/2)	0.990	0.999	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293.15	0.1 M Bis-Tris propane (pH 7.4), 0.2 M potassium citrate and 15% (w/v) PEG 3350 and protein at 13 mg/mL