X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 298 70.49 mg/ml MyulA.00778.A1.PS00783, 200mM NH4 Citrate, 20% PEF 3350, 20% ethylene glycol as cryoprotectant
Unit Cell:
a: 52.790 Å b: 52.890 Å c: 84.220 Å α: 94.920° β: 101.050° γ: 83.350°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.30 Solvent Content: 46.54
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 FREE R-VALUE 1.8500 42.9920 73943 3710 97.7100 0.1759 0.2108 29.1421
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
1.850 50.0 97.700 0.057 ? 16.080 ? ? 73949 ? -3.000 22.510
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 1.850 1.900 96.200 ? ? 2.720 ? ?
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 APS BEAMLINE 21-ID-G 0.9786 APS 21-ID-G
Software
Software Name Purpose Version
PHENIX refinement (phenix.refine: dev_1702)
XSCALE data scaling .
XDS data scaling 2.5.2
PDB_EXTRACT data extraction 3.14
PHASER phasing .
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