X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 293 0.14M CaCl2, 0.7M Na Acetate, 14% 2-propanol, 30% glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 76.343 Å b: 76.231 Å c: 109.410 Å α: 90.61° β: 104.75° γ: 106.27°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 4.15 Solvent Content: 70.38
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 ? 2.842 44.835 47765 1997 88.97 0.2076 0.2408 116.8066
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
2.84 50.00 91.0 0.096 ? 31.73 7.3 ? ? 0 2 70.910
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
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 5.0.2 1 ALS 5.0.2
Software
Software Name Purpose Version
PHENIX refinement 1.8.2_1309
PDB_EXTRACT data extraction 3.11
ADSC data collection Quantum
DENZO data reduction .
SCALEPACK data scaling .
HKL-3000 data scaling .
PHENIX phasing (Phaser)
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