X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 2.5 M sodium chloride, 0.1 M imidazole, pH 8
Unit Cell:
a: 42.555 Å b: 42.555 Å c: 28.376 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 1.92 Solvent Content: 35.88
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 1.10 23.61 10327 496 99.14 0.1360 0.1387 13.42
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
1.10 23.61 99.2 ? 0.042 28.4 6.9 ? 10334 ? ? 8.13
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 1.10 1.12 99.8 ? 0.526 3.6 6.4 ?
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 1.00003 ALS 4.2.2
Software
Software Name Purpose Version
PHENIX model building .
PHENIX refinement 1.13_2998
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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