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2V0G

LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site.

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2006-03-20
DetectorADSC CCD
Spacegroup nameC 1 2 1
格子定数 [Å]202.050, 125.800, 173.200
格子定数 [度]90.00, 118.71, 90.00
精密化法
残基152.500 - 3.500
R因子0.249
Rwork0.245
R-free0.31400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2byt
結合長の平均二乗偏差(RMSD) [Å]0.010
結合角の平均二乗偏差(RMSD) [度]1.335
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)50.0003.600
分解能 [Å] (高)3.5003.500
Rmerge_l_obs0.1200.450
独立反射数138057
<I/σ(I)>92.69
完全性 [%]94.996.8
冗長性32.95
結晶化条件
結晶ID方法pH温度溶液条件
15MG/ML LEUCYL-TRNA SYNTHETASE, MOLAR RATIO PROTEIN:TRNA 1.0:1.2 5MM L-LEUCINE, 15MM MGCL2, 50MM MES PH6.5, 0.8M AMMONIUM SULPHATE AGAINST RESERVOIR CONTAINING 1.5M AMMONIUM SULPHATE AND 0.1M MES PH6.5

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件を2024-09-18に公開中

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