X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.5 298.0 45% MPD, 0.1M Bicine pH 9.5, 0.2M NH4H2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Unit Cell:
a: 92.690 Å b: 92.690 Å c: 92.690 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 2 3
Crystal Properties:
Matthew's Coefficient: 2.77 Solvent Content: 55.52
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 1.79 27.95 23984 1291 99.96 0.19829 0.23791 18.455
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
1.79 27.95 99.9 ? ? ? ? ? 25311 ? ? ?
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 1.79 1.89 100.00 ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU MICROMAX-007 1.5418 ? ?
Software
Software Name Purpose Version
MAR345dtb data collection .
MOLREP phasing .
REFMAC refinement 5.5.0066
MOSFLM data reduction .
SCALA data scaling .
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