Mass: 18.015 Da / Num. of mol.: 533 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
THE PROTEIN IS TETRAMER OF TWO ALPHA AND TWO BETA CHAINS.
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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: 2.55 Å3/Da / Density % sol: 51.72 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.8 Details: 10 MG/ML PROTEIN, RESERVOIR:50 MM TRIS-BIS-PROPANE PH 7.8, 100 MM NACL, 12% PEG8000, 50 MM GLYCEROL PHOSPHATE, 1.5 MM SPERMIDINE, 20 DEG, HANGING DROP IN THE DARK
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.934 Å / Relative weight: 1
Reflection
Resolution: 1.3→19 Å / Num. obs: 144691 / % possible obs: 82 % / Observed criterion σ(I): -3 / Redundancy: 1.8 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 6.5
Reflection shell
Resolution: 1.3→1.4 Å / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 1 / % possible all: 42.3
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Processing
Software
Name
Version
Classification
REFMAC
5
refinement
XDS
datareduction
XSCALE
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.5→20 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.947 / SU B: 1.476 / SU ML: 0.054 / Cross valid method: THROUGHOUT / ESU R: 0.073 / ESU R Free: 0.073 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: PLP IS BOUND VIA A SCHIFF BASE BOND TO BETA LYS87
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.202
5391
5 %
RANDOM
Rwork
0.179
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obs
0.18
102542
93.8 %
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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