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3NK9

Crystal structure of Staphylococcal nuclease variant Delta+PHS V74A at cryogenic temperature

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X25
Synchrotron siteNSLS
BeamlineX25
Temperature [K]100
Detector technologyCCD
Collection date2010-01-25
DetectorADSC QUANTUM 315
Wavelength(s)1.1000
Spacegroup nameP 1 21 1
格子定数 [Å]31.075, 60.435, 38.129
格子定数 [度]90.00, 93.30, 90.00
精密化法
分解能30.220 - 1.650
R因子0.1855
Rwork0.181
R-free0.22430
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3BDC with all H2Os Ca2+ and THP removed and the following truncations: H8A T13A Q30A K64A V74A T82A Y113A V114A and Y115A; all b-factors were reset to 20 A^2.
結合長の平均二乗偏差(RMSD) [Å]0.015
結合角の平均二乗偏差(RMSD) [度]1.611
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.1.4)
Refinement softwareREFMAC
Quality characteristics
 OverallInner shellOuter shell
分解能 [Å] (低)50.00050.0001.680
分解能 [Å] (高)1.6504.4801.650
Rmerge_l_obs0.0460.0380.183
独立反射数16836
<I/σ(I)>22.3
完全性 [%]98.889.796
冗長性7.26.86.5
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP827722% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 8.0, vapor diffusion, hanging drop, temperature 277K

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件を2025-04-02に公開中

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