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5E26

Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2015-08-14
DetectorADSC QUANTUM 315r
Wavelength(s)0.97934
Spacegroup nameP 21 21 21
格子定数 [Å]108.874, 109.717, 142.571
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基50.010 - 2.140
R因子0.2146
Rwork0.214
R-free0.25050
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sms
結合長の平均二乗偏差(RMSD) [Å]0.008
結合角の平均二乗偏差(RMSD) [度]1.282
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0131)
Quality characteristics
 OverallInner shellOuter shell
分解能 [Å] (低)50.000100.0002.180
分解能 [Å] (高)2.1405.8102.140
Rmerge_l_obs0.1500.0780.940
Rmeas0.1570.084
Rpim0.0570.0300.351
Total number of observations779699
独立反射数96028
<I/σ(I)>5.1
完全性 [%]100.099.7100
冗長性8.17.68.1
CC(1/2)0.9960.791
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, SITTING DROP6.52912.4M Na Malonate pH 6.5, 0.1M TCEP HCl

217705

件を2024-03-27に公開中

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