Mass: 18.015 Da / Num. of mol.: 257 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2 Å3/Da / Density % sol: 40 % / Description: NONE
Crystal grow
pH: 6.5 Details: 0.1 M MES PH 6.5, 1.7 M MGSO4, 0.18 M LI2S04 AND PROTEIN SOLUTION (2.5 MG/ML ALCC, 45 MM MES PH 6.5 AND 5 MM ADENOSINE, 5 MM N-HYDROXY-N-SUCCINYLPUTRESCINE, PRE INCUBATED FOR 30 MIN ON ICE), ...Details: 0.1 M MES PH 6.5, 1.7 M MGSO4, 0.18 M LI2S04 AND PROTEIN SOLUTION (2.5 MG/ML ALCC, 45 MM MES PH 6.5 AND 5 MM ADENOSINE, 5 MM N-HYDROXY-N-SUCCINYLPUTRESCINE, PRE INCUBATED FOR 30 MIN ON ICE), CRYSTALS SOAKED IN 25 MM ATP, 25 MM N-HYDROXY-N-SUCCINYLPUTRESCINE
Resolution: 1.96→50 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.935 / SU B: 3.713 / SU ML: 0.107 / Cross valid method: THROUGHOUT / ESU R: 0.184 / ESU R Free: 0.157 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2211
2123
5.1 %
RANDOM
Rwork
0.18219
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obs
0.18417
39703
99.9 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK