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2V0C

LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE In the synthetic site and an adduct of AMP with 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690) in the 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 2 2 21
格子定数 [Å]101.830, 154.230, 174.950
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基87.370 - 1.850
R因子0.181
Rwork0.180
R-free0.20200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h3n
結合長の平均二乗偏差(RMSD) [Å]0.014
結合角の平均二乗偏差(RMSD) [度]1.494
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)50.0001.900
分解能 [Å] (高)1.8501.850
Rmerge_l_obs0.0600.550
独立反射数472672
<I/σ(I)>13.862.42
完全性 [%]99.391.2
冗長性4.13.7
結晶化条件
結晶ID方法pH温度溶液条件
1PROTEIN 10 MG/ML IN 50MM BIS-TRIS PROPANE BUFFER PH 6.0-6.5 2MM DTT, 20MM MGCL2, 1MM NAN3, 18% AMMONIUM SULPHATE EQUILBRIATED AGAINST 30-38% AMMONIUM SULPHATE IN 100MM BIS-TRIS PROPANE BUFFER PH 6.0-6.5.

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件を2024-09-18に公開中

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