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5MYP

Structure of apo-TbALDH3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2015-07-16
DetectorRIGAKU SATURN 944+
Wavelength(s)1.54178
Spacegroup nameP 1 21 1
Unit cell lengths87.717, 63.950, 91.746
Unit cell angles90.00, 98.64, 90.00
Refinement procedure
Resolution22.900 - 1.950
R-factor0.20133
Rwork0.200
R-free0.22327
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)homology model
RMSD bond length0.007
RMSD bond angle1.099
Data reduction softwareXDS
Data scaling softwareAimless (6.5.013)
Phasing softwarePHASER (6.5.013)
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]90.7002.000
High resolution limit [Å]1.9501.950
Rmerge0.0990.213
Number of reflections725574318
<I/σ(I)>10.13.8
Completeness [%]99.495.9
Redundancy4.93.5
CC(1/2)0.9930.941
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.5293.15100 mM Bis-Tris pH 5.5, 0.2 M LiSO4, 25% PEG3350

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