X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 277 NANODROP, 0.2M (NH4)2SO4, 20.0% PEG 3350, No Buffer pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Unit Cell:
a: 72.310 Å b: 72.310 Å c: 233.020 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 3.19 Solvent Content: 61.40
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 1.850 29.399 31830 1612 99.720 0.172 0.205 32.402
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
1.85 29.399 99.700 0.090 ? ? ? ? 31933 ? -3.00 29.156
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 1.85 1.92 98.60 ? ? 1.7 ? ?
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 SSRL BEAMLINE BL11-1 0.91837, 0.97867 SSRL BL11-1
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
PHENIX refinement .
MolProbity model building 3beta29
XSCALE data scaling .
PDB_EXTRACT data extraction 3.006
MAR345 data collection CCD
XDS data reduction .
SHELXCD phasing .
autoSHARP phasing .
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