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3NDN

Crystal structure of O-succinylhomoserine sulfhydrylase from Mycobacterium tuberculosis covalently bound to pyridoxal-5-phosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Temperature [K]100
Detector technologyCCD
Collection date2010-05-29
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths81.950, 129.560, 95.960
Unit cell angles90.00, 115.35, 90.00
Refinement procedure
Resolution19.700 - 1.850
R-factor0.189
Rwork0.187
R-free0.22300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1y4i
RMSD bond length0.014
RMSD bond angle1.322
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER (2.1.4)
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.0001.900
High resolution limit [Å]1.8508.2701.850
Rmerge0.0620.0270.529
Number of reflections153275164811304
<I/σ(I)>13.5633.52.5
Completeness [%]99.491.799.6
Redundancy4.44.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.528926.9 mg/mL protein against JCSG+ condition A2, 25% PEG 3000, 0.1 M citrate pH 5.5, crystal tracking ID 215797a2, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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