4FN9

X-ray Crystal structure of the Ancestral 3-keto steroid receptor - Progesterone 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	2008-07-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.472, 112.108, 132.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.604 - 3.000
R-factor	0.2058
Rwork	0.203
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a28
RMSD bond length	0.009
RMSD bond angle	1.281
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.630	50.000	2.850
High resolution limit [Å]	2.730	5.920	2.750
Rmerge		0.071	0.443
Number of reflections	21895
<I/σ(I)>	99.4
Completeness [%]	94.0	99.9	96.1
Redundancy	6.8	6.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	1.0M MgSO4, 10% glycerol, and 100 mM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K