7ZTX

Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.89
Spacegroup name	P 21 21 21
Unit cell lengths	54.573, 65.824, 70.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.070 - 1.890
R-factor	0.2025
Rwork	0.200
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t7t
RMSD bond length	0.008
RMSD bond angle	1.606
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.820	65.820	1.930
High resolution limit [Å]	1.890	9.060	1.890
Rmerge	0.107	0.055	3.152
Rmeas	0.116	0.060	3.399
Rpim	0.045	0.024	1.257
Total number of observations	143549	1284	9454
Number of reflections	20910	238	1309
<I/σ(I)>	8.8	25.3	0.7
Completeness [%]	99.9	99.6	100
Redundancy	6.9	5.4	7.2
CC(1/2)	0.998	0.998	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	ammonium sulfate HEPES urea