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6Z6R

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2020-05-14
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.97628
Spacegroup nameP 21 21 21
Unit cell lengths49.852, 90.590, 122.361
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.700 - 2.130
R-factor0.2131
Rwork0.212
R-free0.24240
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5jtc
RMSD bond length0.014
RMSD bond angle1.615
Data reduction softwareXDS
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.7002.290
High resolution limit [Å]2.1302.130
Rmerge0.1752.090
Number of reflections210101051
<I/σ(I)>11.11.3
Completeness [%]67.219.2
Redundancy13.212.9
CC(1/2)0.9980.493
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5277100 mM Bis Tris propane, 200 mM sodium bromide, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM N-oxalyl-alpha-methylalanine, 18 mg/ml protein

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