X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? ? HANGING DROPS OF 0.75 UL PROTEIN SOLUTION, 0.75 UL 75 MM CALCIUM ACETATE, 17 % PEG 3350.
Unit Cell:
a: 35.286 Å b: 78.944 Å c: 58.034 Å α: 90.00° β: 93.10° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.94 Solvent Content: 36.64
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 2.10 78.94 17566 947 99.35 0.21773 0.28682 34.510
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
2.10 78.10 99.5 0.07 ? 11.50 3.8 ? 18516 ? 0.0 30.1
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 2.10 2.21 99.1 ? 2.40 3.8
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 93 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID29 ? ESRF ID29
Software
Software Name Purpose Version
REFMAC refinement 5.5.0102
XDS data reduction .
SCALA data scaling .
MOLREP phasing .
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