X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 22% PEG 4000, Sodium Acetate 0.2 M, Tris 0.1 M, 5% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 102.707 Å b: 107.219 Å c: 81.597 Å α: 90.00° β: 112.78° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.80
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 1.50 29.55 122895 6515 99.82 0.17528 0.19499 16.831
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
1.50 30.00 ? 0.06 ? ? 7.2 ? 129484 ? ? ?
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 1.50 1.55 ? ? ? 3.1 6.7 ?
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 NSLS BEAMLINE X29A 1.0809 NSLS X29A
Software
Software Name Purpose Version
HKL-2000 data collection .
MOLREP phasing .
REFMAC refinement 5.2.0005
DENZO data reduction .
SCALEPACK data scaling .
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