4N73

Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt Protoporphyrin IX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2012-09-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	73.660, 48.680, 69.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.612 - 1.866
R-factor	0.2165
Rwork	0.214
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cqv
RMSD bond length	0.012
RMSD bond angle	1.325
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.612	40.000	1.883
High resolution limit [Å]	1.866	4.610	1.866
Number of reflections	21145
Completeness [%]	85.0	99.8	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	1.7M ammonium sulfate, 4% Jeffamine and 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K