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2Y56

Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3)

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2010-02-05
DetectorDECTRIS PILATUS 6M
Spacegroup nameI 2 3
格子定数 [Å]218.930, 218.930, 218.930
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基48.950 - 3.590
R因子0.1752
Rwork0.174
R-free0.20250
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2c9t
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]1.010
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.8.0)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)16.0503.680
分解能 [Å] (高)3.5903.590
Rmerge_l_obs0.1400.600
独立反射数20509
<I/σ(I)>12.312.87
完全性 [%]99.899.7
冗長性5.415
結晶化条件
結晶ID方法pH温度溶液条件
18.50.1M MMT PH8.5, 1.1M AMMONIUM SULPHATE

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件を2024-09-18に公開中

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