X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 200 mM calcium acetate, 20.0% PEG4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 102.593 Å b: 102.593 Å c: 129.156 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.81 Solvent Content: 56.22
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 3.90 73.20 7072 335 99.76 0.2421 0.2411 68.05
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
3.9 89 99.9 ? ? ? ? 7096 7076 0 0 104.93
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 3.9 4.11 99.87 ? 0.83 1.00 7.93 ?
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
SYNCHROTRON SLS BEAMLINE X06DA 1.0000 SLS X06DA
Software
Software Name Purpose Version
REFMAC refinement .
PDB_EXTRACT data extraction 3.006
MARMOSAIC data collection 225
MOSFLM data reduction .
SCALA data scaling .
PHASER phasing .
BUSTER refinement 2.10.0
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