X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 100-400 mM Ammonium Formate, 30% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 54.102 Å b: 80.183 Å c: 64.706 Å α: 90.000° β: 103.760° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.97 Solvent Content: 37.68
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 SAD THROUGHOUT 2.000 36.300 35951 1786 98.670 0.189 0.233 50.437
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
2.000 50.000 99.000 0.059 0.059 16.500 3.600 36395 36028 0.0 0.0 37.8
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 2.00 2.07 94.10 ? 0.511 2.3 2.50 3389
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 23-ID-D 0.97937,0.97956,0.96112 APS 23-ID-D
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
SOLVE phasing .
RESOLVE phasing .
REFMAC refinement .
PDB_EXTRACT data extraction 3.005
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
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