7VPU

Crystal structure of the ligand-binding domain of L. thermotolerans Upc2 in complex with ergosterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	110
Detector technology	CCD
Collection date	2015-03-28
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	64.379, 147.127, 90.948
Unit cell angles	90.00, 108.33, 90.00

Refinement procedure

Resolution	24.310 - 2.590
R-factor	0.2314
Rwork	0.229
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n9n
RMSD bond length	0.012
RMSD bond angle	2.139
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.590	2.600
Rmerge	0.072	0.535
Number of reflections	49148	2446
<I/σ(I)>	33	3.9
Completeness [%]	99.1	100
Redundancy	4.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	296	0.1 M Na-Acetate pH 4.0, 15% PEG 20000, 0.2 M NaNO3