6WMQ

Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	164.570, 48.500, 58.620
Unit cell angles	90.00, 105.30, 90.00

Refinement procedure

Resolution	53.154 - 2.550
R-factor	0.2065
Rwork	0.199
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cqv
RMSD bond length	0.008
RMSD bond angle	1.099
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.095	0.366
Number of reflections	14814	14814
<I/σ(I)>	6.83	2.26
Completeness [%]	99.9	100
Redundancy	2
CC(1/2)	1.000	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	2.0 M ammonium sulfate, 0.1 M Na HEPES, pH 7.5, 2% PEG 400