5H2D

Crystal structure of Osh1 ORD domain in complex with ergosterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	61.129, 47.207, 73.000
Unit cell angles	90.00, 96.24, 90.00

Refinement procedure

Resolution	37.280 - 1.600
R-factor	0.178
Rwork	0.177
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4inq
RMSD bond length	0.006
RMSD bond angle	0.905
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.065	0.306
Number of reflections	54668
<I/σ(I)>	26.1	5.3
Completeness [%]	99.6	99.2
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	Bicine-HCl pH 9.0, 20% PEG 3350, 0.2M MgSO4