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2H76

Crystal Structure of Thioredoxin Mutant D10E in Hexagonal (p61) Space Group

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsOTHER
Temperature [K]100
Detector technologyCCD
Collection date2006-02-20
DetectorBRUKER SMART 6000
Wavelength(s)1.5418
Spacegroup nameP 61
Unit cell lengths103.170, 103.170, 41.834
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution51.580 - 2.250
R-factor0.202
Rwork0.195
R-free0.26800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2trx
RMSD bond length0.014
RMSD bond angle1.403
Data reduction softwarePROTEUM PLUS (2)
Data scaling softwareSAINT
Phasing softwareMOLREP
Refinement softwareREFMAC (refmac_5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]51.5802.300
High resolution limit [Å]2.2502.250
Number of reflections12308
<I/σ(I)>27.136.46
Completeness [%]99.9100
Redundancy28.9322.28
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1COUNTER-DIFFUSION3.527760% (v/v) MPD, HEPES 15 mM pH 4.1, Ac2Cu 1mM, AcNa 15m, pH 3.5, Counter-diffusion, temperature 277K

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