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8JNP

Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyPIXEL
Collection date2021-09-22
DetectorDECTRIS PILATUS 200K
Wavelength(s)1.54184
Spacegroup nameP 21 21 21
Unit cell lengths67.197, 68.383, 108.795
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.060 - 2.000
R-factor0.1903
Rwork0.188
R-free0.23720
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.243
Data reduction softwareCrysalisPro (171.39.7e)
Data scaling softwareAimless (CCP4Interface 7.1.015)
Phasing softwareMOLREP (CCP4Interface 7.1.015)
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.0602.050
High resolution limit [Å]2.0002.000
Rmerge0.1060.559
Rmeas0.1110.602
Rpim0.0330.222
Total number of observations36227218120
Number of reflections345842504
<I/σ(I)>13.52.3
Completeness [%]99.9
Redundancy10.57.2
CC(1/2)0.9980.926
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP62890.2M sodium chloride, 0.1M MES, 20% W/V PEG 6000

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