X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.80 ? PEG 8K 28%, 150MM AS, 10MM NACL PH 3.8, [P]=2.65MG/NL
Unit Cell:
a: 64.050 Å b: 48.920 Å c: 123.547 Å α: 90.00° β: 102.63° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.52 Solvent Content: 51
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MAD THROUGHOUT 1.63 15 88875 2202 96 0.194 0.234 ?
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.600 30.000 97.1 ? 0.099 7.9000 2.400 ? 89441 ? 0.000 23.77
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.60 1.64 94.0 0.31000 2.100 2.00 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID14-4 0.978, 0.9795, 0.9324, 0.933 ESRF ID14-4
Software
Software Name Purpose Version
REFMAC refinement .
DENZO data reduction .
SCALA data scaling .
SOLVE phasing .
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