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1BKG

ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS WITH MALEATE

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]287
Detector technologyIMAGE PLATE
Collection date1997-05
DetectorRIGAKU
Spacegroup nameP 21 21 21
Unit cell lengths80.250, 109.710, 197.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.600
R-factor0.197
Rwork0.197
R-free0.23800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bjw
RMSD bond length0.011
RMSD bond angle24.000

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.851)
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.690
High resolution limit [Å]2.6002.600
Rmerge0.1090.335
Total number of observations185800

*

Number of reflections52952
<I/σ(I)>5.91.06
Completeness [%]97.389.9
Redundancy3.62.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

7

*

20

*

pH 6.5
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21dropmaleate40 (mM)
31drop100 (mM)
41dropHEPES2 (mM)
51reservoirsodium acetate200 (mM)
61reservoirsodium citrate100 (mM)
71reservoirPEG600016 (%)

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