X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 289 HEPES, PEG 3350, Propanol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Unit Cell:
a: 134.886 Å b: 48.201 Å c: 140.131 Å α: 90.000° β: 110.550° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.28 Solvent Content: 46.01
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 ? 2.1300 19.9850 44060 2257 92.3500 0.2402 0.2843 41.7250
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
2.130 19.985 93.600 0.062 ? 13.100 3.180 ? ? ? ? ?
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 2.700 2.800 85.000 ? ? 3.900 3.120 1999
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 MICROMAX-002 1.54 ? ?
Software
Software Name Purpose Version
PHENIX refinement .
REFMAC refinement .
PDB_EXTRACT data extraction 3.10
CrystalClear data collection .
CrystalClear data reduction .
d*TREK data scaling .
PHASER phasing .
d*TREK data reduction 9.7 W8RSSI
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