9OGV

Identification of ligands for E3 ligases using fragment-based methods

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-12
Detector	MAR CCD 300 mm
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	68.927, 72.302, 117.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.430 - 2.800
R-factor	0.2503
Rwork	0.245
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.676
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.400	2.580
High resolution limit [Å]	2.540	2.540
Number of reflections	17251	1094
<I/σ(I)>	7.2
Completeness [%]	97.8
Redundancy	8.4
CC(1/2)	0.990	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	10-15% PEG 3350, 0.1 M Bis-TRIS pH 6.5