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6DQ7

LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]100
Detector technologyCCD
Collection date2016-02-13
DetectorRAYONIX MX-300
Wavelength(s)1.00000
Spacegroup nameC 1 2 1
格子定数 [Å]117.506, 62.309, 46.695
格子定数 [度]90.00, 92.39, 90.00
精密化法
残基33.140 - 1.852
R因子0.1927
Rwork0.192
R-free0.20930
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5ivb
結合角の平均二乗偏差(RMSD) [度]0.465
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX ((dev_2666: ???))
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)33.1401.920
分解能 [Å] (高)1.8501.850
Rmerge_l_obs0.0760.593
Rpim0.0370.299
独立反射数285782696
<I/σ(I)>19.22.3
完全性 [%]99.595.7
冗長性54.4
CC(1/2)0.833
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, SITTING DROP2891.2-1.35 M (NH4)2SO4, 0.1 M Tris-HCl (pH 8.6-9.2) 0-20% glycerol 25 mM (Na/K) dibasic/monobasic phosphate

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件を2024-09-18に公開中

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