7QB1

PPARg in complex with inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-11
Detector	ADSC QUANTUM 1
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	93.368, 60.664, 118.254
Unit cell angles	90.00, 102.93, 90.00

Refinement procedure

Resolution	45.982 - 2.200
Rwork	0.199
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	internal modle
RMSD bond length	0.010
RMSD bond angle	1.679
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.050	0.670
Number of reflections	34961	4068
<I/σ(I)>	16.2
Completeness [%]	99.2
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20mM Tris pH 8.0, 5mM DTT, 100mM NaCl , 2mM EDTA