9M2E

Crystal Structure of Nur77 LBD in complex with DBIC compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	74.522, 76.094, 128.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.360 - 2.575
Rwork	0.206
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.478
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.570	2.570
Number of reflections	22762	22762
<I/σ(I)>	11.867
Completeness [%]	95.8
Redundancy	3.1
CC(1/2)	0.780	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG4000, Sodium citrate, Glycerol