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1BO8

THYMIDYLATE SYNTHASE R178T MUTANT

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]293
Detector technologyAREA DETECTOR
Collection date1995-07-15
DetectorSIEMENS
Spacegroup nameP 61 2 2
Unit cell lengths78.500, 78.500, 241.700
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution7.000 - 2.400
R-factor0.196
Rwork0.196
R-free0.24700

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1TDM
RMSD bond length0.006

*

RMSD bond angle1.400

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.500
High resolution limit [Å]2.4002.400
Rmerge0.0810.620

*

Number of reflections17212
<I/σ(I)>15.42
Completeness [%]94.7

*

87.1
Redundancy3.53
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

7pH 7.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21droppotassium phosphate20 (mM)
31reservoirpotassium phosphate20 (mM)
41reservoirammonium sulfate20 (mM)
51reservoirdUMP38 (mM)

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