X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 292 0.2M NaF, 0.1M Bis Tris, pH8.5, 20% PEG3350, Microbatch under oil, temperature 292K
Unit Cell:
a: 106.584 Å b: 106.584 Å c: 128.753 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.22
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 2.25 50.00 73236 3874 99.08 0.21771 0.27758 34.855
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
2.25 50 99.1 ? ? ? ? 77187 77888 330399 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 2.25 2.33 95.7 ? ? ? ? ?
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 ESRF BEAMLINE BM14 0.954 ESRF BM14
Software
Software Name Purpose Version
HKL-2000 data collection .
PHASER phasing .
REFMAC refinement 5.2.0019
HKL-2000 data reduction .
SCALEPACK data scaling .
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