4LTW

Ancestral Ketosteroid Receptor-Progesterone-Mifepristone Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-09
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	53.920, 74.950, 95.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.770 - 2.045
R-factor	0.1819
Rwork	0.179
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fn9
RMSD bond length	0.013
RMSD bond angle	1.663
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.800	43.800	2.100
High resolution limit [Å]	2.050	4.930	2.050
Number of reflections	25036
Completeness [%]	99.4	100	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.8 M MgSO4, 10 % glycerol, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K