Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Remark 700
SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 150 / 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: 2.67 Å3/Da / Density % sol: 54.01 % / Description: NONE
Crystal grow
pH: 5 / Details: 0.7 M NACL, 100 MM MES PH 5.0
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Data collection
Diffraction
Mean temperature: 108 K
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I911-5 / Wavelength: 0.90718
Detector
Type: MARRESEARCH / Detector: CCD / Date: Oct 21, 2006
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.90718 Å / Relative weight: 1
Reflection
Resolution: 1.76→15.77 Å / Num. obs: 21010 / % possible obs: 86.9 % / Observed criterion σ(I): 0 / Redundancy: 4.2 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 11.5
Reflection shell
Resolution: 1.75→1.85 Å / Redundancy: 4 % / Rmerge(I) obs: 0.07 / Mean I/σ(I) obs: 9.1 / % possible all: 85.8
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Processing
Software
Name
Version
Classification
REFMAC
5
refinement
MOSFLM
datareduction
SCALA
datascaling
REFMAC
phasing
Refinement
Method to determine structure: OTHER Starting model: NONE Resolution: 1.76→15.77 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.921 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ADDITIONAL REFINEMENT USING CNS