X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.80 ? 37% (V/V) ETHANOL, 450 MM NACL, 50 MM CITRATE BUFFER PH4.8, 1MM EDTA, USING THE DIALYSIS METHOD., pH 4.80
Unit Cell:
a: 94.390 Å b: 24.250 Å c: 64.530 Å α: 90.00° β: 130.40° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.13 Solvent Content: 41.8
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 MOLECULAR REPLACEMENT THROUGHOUT 1.90 36 8771 489 96.4 0.187 0.232 41.160
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
1.900 36.000 96.4 0.07500 ? 12.4000 8.200 ? 8771 ? ? 39.6
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 1.90 1.97 91.6 ? 4.100 4.10
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RU300 ? ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
Queen of Spades phasing .
X-PLOR phasing .
X-PLOR refinement 3.851
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