X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 298 12-30% PEG 3350, 0.1M HEPES PH 7.4,10 MM MNCL2, 10 MM GDP, hanging drop vapor diffusion, temperature 298K
Unit Cell:
a: 62.078 Å b: 119.520 Å c: 87.018 Å α: 90.000° β: 107.150° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.22 Solvent Content: 44.47
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 2.100 35.930 68845 3483 96.840 0.193 0.247 12.932
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
2.100 100.000 97.200 0.163 ? 6.700 7.000 ? 68897 ? ? ?
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 2.10 2.18 80.30 ? ? ? 4.90 5695
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RUH2R 1.54 ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
MOLREP phasing .
REFMAC refinement .
PDB_EXTRACT data extraction 3.100
CrystalClear data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
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