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4POC

Structure of Triosephosphate Isomerase Wild Type human enzyme.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X25
Synchrotron siteNSLS
BeamlineX25
Temperature [K]100
Detector technologyCCD
Collection date2012-03-23
DetectorADSC QUANTUM 315
Wavelength(s)1.1
Spacegroup nameP 1 21 1
Unit cell lengths47.920, 48.851, 93.966
Unit cell angles90.00, 103.66, 90.00
Refinement procedure
Resolution46.564 - 1.601
R-factor0.1548
Rwork0.153
R-free0.18730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2jk2
RMSD bond length0.005
RMSD bond angle0.962
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.1.4)
Refinement softwarePHENIX (1.8.2_1309)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.630
High resolution limit [Å]1.6004.3401.600
Rmerge0.0770.0710.442
Number of reflections52380
<I/σ(I)>11.3
Completeness [%]93.898.654.2
Redundancy5.65.13
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.527735% PEG 2000 MME, 0.05 KBr, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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