5V8Q

Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	80
Detector technology	CCD
Collection date	2009-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 21 21 21
Unit cell lengths	54.747, 65.557, 70.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.150 - 1.440
R-factor	0.1691
Rwork	0.167
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.081
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.150	50.000	1.460
High resolution limit [Å]	1.440	3.910	1.440
Rmerge	0.040	0.024	0.659
Total number of observations	214273
Number of reflections	46924
<I/σ(I)>	16.1
Completeness [%]	99.6	96.9	97
Redundancy	4.6	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	293	1.08M Phosphate NH4 Dibasic 0.07M Phosphate K Dibasic 0.03M Phosphate Na Monobasic pH 7.1