8ZGI

Crystal structure of DUF4297 from E.Coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 61 2 2
Unit cell lengths	144.296, 144.296, 262.742
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.311 - 3.200
R-factor	0.2839
Rwork	0.283
R-free	0.32190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.455
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.390
High resolution limit [Å]	3.200	3.200
Number of reflections	27392	4282
<I/σ(I)>	13.5
Completeness [%]	99.9
Redundancy	38.5
CC(1/2)	0.990	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	800 mM Sodium phosphate monobasic 1200 mM Potassium phosphate dibasic 100 mM Sodium acetate pH 4.5