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3K73

Crystal Structure of Phosphate bound Holo Glyceraldehyde-3-phosphate dehydrogenase 1 from MRSA252 at 2.5 Angstrom resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2009-05-10
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths68.200, 104.851, 90.604
Unit cell angles90.00, 107.57, 90.00
Refinement procedure
Resolution19.140 - 2.500
R-factor0.179
Rwork0.177
R-free0.22400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3H48
RMSD bond length0.015
RMSD bond angle1.553
Data reduction softwared*TREK
Data scaling softwared*TREK (9.8L)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]86.3802.590
High resolution limit [Å]2.5002.500
Rmerge0.0850.376
Total number of observations12030
Number of reflections41937
<I/σ(I)>8.12.5
Completeness [%]99.899.7
Redundancy3.022.86
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52980.1M Tris-HCl pH 8.5, 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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