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7U0S

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

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2021-09-16
DetectorRAYONIX MX-300
Wavelength(s)0.97872
Spacegroup nameP 21 21 2
Unit cell lengths89.810, 91.470, 35.530
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.750 - 1.700
R-factor0.1697
Rwork0.168
R-free0.19210
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5hwc
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.20-4438)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]40.75040.7501.740
High resolution limit [Å]1.7007.6001.700
Rmerge0.0660.0440.530
Rmeas0.0750.0510.593
Total number of observations159338
Number of reflections328814242347
<I/σ(I)>13.7829.322.9
Completeness [%]99.596.199.2
Redundancy4.8464.1274.915
CC(1/2)0.9980.9960.882
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.5287[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]

222036

PDB entries from 2024-07-03

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