X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 277 1.8 M ammonium sulfate, 0.1 M HEPES, 3% PEG 1K, pH 7.5, VAPOR DIFFUSION, temperature 277K
Unit Cell:
a: 95.976 Å b: 95.976 Å c: 107.090 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 2.88 Solvent Content: 57.33
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 1.65 42.922 109588 5779 98.63 0.22275 0.24575 26.493
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
1.65 42.922 99.9 0.087 0.087 45.4 6.2 116751 116751 0.0 0.0 ?
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 1.65 1.71 99.6 ? 0.074 2.8 5.9 ?
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 1.07500 NSLS X29A
Software
Software Name Purpose Version
ADSC data collection Quantum
MLPHARE phasing .
REFMAC refinement 5.8.0049
HKL-2000 data reduction .
HKL-2000 data scaling .
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