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4UXD

2-keto 3-deoxygluconate aldolase from Picrophilus torridus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2009-03-26
DetectorSATURN 944PLUS
Spacegroup nameP 2 21 21
Unit cell lengths77.954, 100.159, 154.609
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.580 - 2.500
R-factor0.1792
Rwork0.175
R-free0.25950
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1xky
RMSD bond length0.008
RMSD bond angle1.179
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareBALBES
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.5802.540
High resolution limit [Å]2.5002.500
Rmerge0.1100.330
Number of reflections36955
<I/σ(I)>13.252.65
Completeness [%]86.683.4
Redundancy3.82.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.5PROTEIN AT 4.2MG/ML MIXED 1:1 WITH (0.085 M HEPES SODIUM BUFFER PH 7.5, 8.5% V/V 2-PROPANOL, 17% W/V PEG 4000, 15% V/V GLYCEROL (ANHYDROUS))

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