7UXG

Crystal structure of putative serine protease YdgD from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 65
Unit cell lengths	98.145, 98.145, 43.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.500 - 2.240
R-factor	0.2608
Rwork	0.258
R-free	0.30980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2
RMSD bond length	0.004
RMSD bond angle	0.755
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.240	2.250
Rmerge	0.048	1.585
Rpim	0.011	0.392
Number of reflections	11646	584
<I/σ(I)>	1.78	1.52
Completeness [%]	100.0	99.8
Redundancy	19.7	16.8
CC(1/2)		0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 3350, 0.2 M NaCl, 0.1 M Hepes pH 7.5