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4CDP

Improved coordinates for Escherichia coli O157:H7 heme degrading enzyme ChuS.

Replaces:  2HQ2
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2006-02-08
DetectorADSC QUANTUM 315
Spacegroup nameH 3
Unit cell lengths106.487, 106.487, 90.229
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.080 - 1.450
R-factor0.13462
Rwork0.133
R-free0.17253
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1u9t
RMSD bond length0.011
RMSD bond angle1.365
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0801.490
High resolution limit [Å]1.4501.450
Rmerge0.070
Number of reflections67643
<I/σ(I)>381.8
Completeness [%]98.797.3
Redundancy6.86.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP827720MG/ML PROTEIN, 12-15% PEG 0.15-0.2M MAGNESIUM FORMATE, AND 10-20MM NAD, PH 8.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K

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