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3B4W

Crystal structure of Mycobacterium tuberculosis aldehyde dehydrogenase complexed with NAD+

Experimental procedure
実験手法MAD
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Temperature [K]100
Detector technologyCCD
Collection date2005-12-10
DetectorADSC QUANTUM 315
Wavelength(s)0.9795, 0.9800, 0.9600
Spacegroup nameP 43 21 2
格子定数 [Å]135.111, 135.111, 72.543
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基39.896 - 1.800
R因子0.1693
Rwork0.168
R-free0.19580
Structure solution methodMAD
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]1.209
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSOLVE
Refinement softwarePHENIX
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)39.8961.860
分解能 [Å] (高)1.8001.800
Rmerge_l_obs0.0910.511
独立反射数62513
<I/σ(I)>12.83.2
完全性 [%]98.399.6
冗長性7.57.4
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP62980.1 M MES, 0.8 M Ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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件を2024-09-18に公開中

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