2P7A

Crystal Structure of Estrogen Related Receptor g in complex with 3-methyl phenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	200
Detector technology	CCD
Collection date	2003-12-18
Detector	BRUKER SMART 6000
Spacegroup name	P 41 21 2
Unit cell lengths	64.279, 64.279, 137.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.000 - 2.300
Rwork	0.205
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ERRg BPA structure
RMSD bond length	1.976
RMSD bond angle	1.257
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.103	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.118
Number of reflections	13237
<I/σ(I)>	5.9	1.55
Redundancy	11.06	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	22.6% polyethylene glycol 4000, 0.1M Tris pH 8.5 and 0.2M Sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K