X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293.0 0.1M LITHIUM SULFATE, 0.1M N-(2-ACETAMIDE) IMINODIACETIC ACID PH 6.5, 12%(W/V) POLYETHYLENE GLYCOL 4000, 2%(V/V) ISO-PROPANOL, EVAPORATION, temperature 293.0K
Unit Cell:
a: 77.700 Å b: 77.700 Å c: 213.924 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.88
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 MAD THROUGHOUT 2.50 19.87 44637 4883 99.43 0.20860 0.25708 61.319
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
2.45 50 98.5 0.08600 0.08600 10.9000 7.2 51353 51353 ? ? 48.80
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 2.45 2.54 86.3 ? 0.42300 1.400 5 ?
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 SPRING-8 BEAMLINE BL38B1 0.9790, 0.9793, 0.9000 SPring-8 BL38B1
Software
Software Name Purpose Version
HKL-2000 data collection .
SOLVE phasing .
REFMAC refinement 5.5.0102
HKL-2000 data reduction .
HKL-2000 data scaling .
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