X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 295 Sitting drop vapor diffusion in Cryschem plates. Reservoirs 30% PEG 3350 buffered with 0.1 M HEPES at pH 6.5. Drops 3 ul of reservoir, 2 ul of additive mix ( TACSIMATE, PEG 3350), 3 ul of 40 mg/ml stock protein solution buffered with 0.1 M HEPES pH 6.5.
Unit Cell:
a: 47.040 Å b: 54.010 Å c: 77.430 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.2 Solvent Content: 38.90
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 1.27 23.29 43363 2159 82.20 0.1223 0.1541 33.18
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
1.27 26.1 78.6 0.043 ? 15.9 3.19 ? 44379 ? ? 14.47
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 1.27 1.29 ? ? ? 1.6 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 295 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU 1.54 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
d*TREK data reduction .
Aimless data scaling .
PHASER phasing .
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