9RCI

Crystal Structure of Flap Endonuclease FEN1 with Compound 28

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98010
Spacegroup name	P 1
Unit cell lengths	35.869, 39.297, 100.916
Unit cell angles	98.30, 90.32, 90.09

Refinement procedure

Resolution	33.080 - 1.662
R-factor	0.2456
Rwork	0.244
R-free	0.28330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.857	1.811
High resolution limit [Å]	1.662	1.662
Rmerge	0.168	0.859
Rmeas	0.198
Rpim	0.103	0.518
Number of reflections	44821	2241
<I/σ(I)>	4.3
Completeness [%]	87.6
Redundancy	1.8
CC(1/2)	0.985	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	21 % PEG MME 5000, 0.1 M MES pH 6.5, 10 mM ammonium sulphate