X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.8 296.0 0.1M Tris-HCl pH 6.8, 2M NH4SO4, 0.04M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K
Unit Cell:
a: 75.750 Å b: 75.750 Å c: 122.962 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32
Crystal Properties:
Matthew's Coefficient: 3.11 Solvent Content: 60.46
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 ? 2.603 37.875 24077 1984 99.62 0.2075 0.2631 ?
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
2.603 37.88 99.69 ? ? ? ? 24093 24093 2.0 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 2.603 2.696 99.33 ? ? ? ? ?
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 SSRF BEAMLINE BL17U 0.9707 SSRF BL17U
Software
Software Name Purpose Version
ADSC data collection Quantum
PHENIX model building .
PHENIX refinement (phenix.refine: 1.8.4_1496)
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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