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4F36

Crystal structure of Nucleoside diphosphate kinase B from Trypanosoma brucei, apo form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2012-04-26
DetectorADSC QUANTUM 315r
Wavelength(s)1.0331710
Spacegroup nameP 21 21 21
Unit cell lengths52.460, 123.670, 145.360
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.300
R-factor0.2
Rwork0.198
R-free0.23500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3r9l
RMSD bond length0.014
RMSD bond angle1.411
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.0002.360
High resolution limit [Å]2.30010.2802.300
Rmerge0.0770.0520.486
Number of reflections425115212857
<I/σ(I)>12.4728.52.3
Completeness [%]98.892.591.3
Redundancy4.33.11
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7290EBS internal tracking number 233837B2: JCSG B2, protein: 20.2 mg/mL TrbrA.00438.a.B1 PS01459 in 25 mM HEPES, pH 7.0, 500 mM sodium chloride, 2 mM DTT, 0.025% sodium azide, 5% glycerol, crystallant: 20% PEG3350, 200 mM sodium isothiocyanate, VAPOR DIFFUSION, SITTING DROP, temperature 290K

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