X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.9 291 2.5% MPD, 50mM HEPES, 5mM Tris-HCL, 160mM sodium chloride, 1.25mM magnesium chloride, 5mM spermidine-HCL, 0.5mM TCEP, 1.25mM ADP-BeF3,, pH 7.9, MICROBATCH, temperature 291K
Unit Cell:
a: 69.230 Å b: 127.030 Å c: 127.170 Å α: 60.48° β: 90.26° γ: 89.77°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 3.34 Solvent Content: 63.22
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 ? 2.80 41.88 87859 4440 94.7 0.271 0.295 70.48
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
2.800 41.900 94.6 0.07900 ? 15.5 3.8 ? 87864 ? -3.000 49.7
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 2.80 2.90 66.6 ? ? 3.800 3.60 ?
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 8.3.1 ? ALS 8.3.1
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
PHENIX refinement .
PDB_EXTRACT data extraction 3.005
HKL-2000 data reduction .
PHASER phasing .
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