X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION
X-RAY DIFFRACTION
Unit Cell:
a: 65.690 Å b: 68.060 Å c: 266.830 Å α: 90.000° β: 95.940° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.66
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 SAD + MOLECULAR REPLACEMENT THROUGHOUT 2.000 29.814 138822 6959 87.530 0.174 0.225 24.950
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
2.00 29.814 84.600 0.058 ? 7.380 ? ? 138837 ? -3.00 21.909
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 2.00 2.07 41.90 ? ? 1.6 ? ?
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 SSRL BL11-1
Software
Software Name Purpose Version
REFMAC refinement 5.4.0066
PHENIX refinement .
MolProbity model building 3beta29
PDB_EXTRACT data extraction 3.000
MAR345 data collection CCD
XDS data reduction .
MOSFLM data reduction .
XSCALE data scaling .
SCALA data scaling .
SHARP phasing .
MOLREP phasing .
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