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4UM7

Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase (kdsC) from Moraxella catarrhalis in complex with Magnesium ion

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR-H
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2013-01-01
DetectorMARRESEARCH
Spacegroup nameP 1 21 1
Unit cell lengths86.264, 43.562, 87.552
Unit cell angles90.00, 91.18, 90.00
Refinement procedure
Resolution27.160 - 1.640
R-factor0.19857
Rwork0.197
R-free0.22831
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3n1u
RMSD bond length0.004
RMSD bond angle0.910
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.670
High resolution limit [Å]1.6401.640
Rmerge0.0500.430
Number of reflections92882
<I/σ(I)>22.32.32
Completeness [%]99.899.5
Redundancy3.93.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
14.6100 MM MG FORMATE, 100 MM BIS-TRIS PROPANE (PH 5.0), 28% W/V PEG 3350

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