7U0S

Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	89.810, 91.470, 35.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.750 - 1.700
R-factor	0.1697
Rwork	0.168
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hwc
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20-4438)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.750	40.750	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.066	0.044	0.530
Rmeas	0.075	0.051	0.593
Total number of observations	159338
Number of reflections	32881	424	2347
<I/σ(I)>	13.78	29.32	2.9
Completeness [%]	99.5	96.1	99.2
Redundancy	4.846	4.127	4.915
CC(1/2)	0.998	0.996	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	287	[Barcode: 321029a1] [pin_id: kzq0-6] [collection: aps21idf 9/16/2021] [crystallization conditions: JCSG+ A1 - 0.2M lithium sulfate, pH 4.5, 50% (v/v) PEG 400] [cryo: direct]