X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.4 295 0.1M BisTris, 14% PEG MME 5,000
Unit Cell:
a: 51.770 Å b: 64.460 Å c: 65.390 Å α: 90.000° β: 112.720° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.59
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 MAD THROUGHOUT 2.2490 47.7530 16750 1666 88.1500 0.2320 0.2776 43.9710
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
2.249 47.76 92.600 0.115 ? 10.100 6.700 ? 17539 ? ? 25.6
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 2.250 2.290 54.700 ? ? ? 3.600 508
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 ALS BEAMLINE 4.2.2 0.97866, 0.97887, 0.96338 ALS 4.2.2
Software
Software Name Purpose Version
HKL-2000 data collection .
HKL-2000 data scaling .
PHENIX refinement 1.9-1692
PDB_EXTRACT data extraction 3.15
HKL-2000 data reduction .
PHENIX phasing .
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