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1P0W

F393W mutant heme domain of flavocytochrome P450 BM3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2001-04-08
DetectorMARRESEARCH
Wavelength(s)1.0332
Spacegroup nameP 1 21 1
Unit cell lengths58.911, 153.538, 61.430
Unit cell angles90.00, 94.42, 90.00
Refinement procedure
Resolution20.000 - 2.000
Rwork0.159
R-free0.22130
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB ID 2HPD
RMSD bond length0.012
RMSD bond angle2.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0650.209
Total number of observations498626

*

Number of reflections72855
<I/σ(I)>13.22.82
Completeness [%]99.699
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.4

*

4

*

PEG 8000, PIPES, MAGNESIUM SULFATE , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirsodium PIPES100 (mM)pH6.5-7.5
21reservoir40 (mM)
31reservoirPEG800018-21 (%)
41dropprotein40 (mg/ml)
51dropTris-HCl50 (mM)
61dropEDTA1 (mM)pH7.4

217705

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