X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 277 0.1M KH2PO4, 2.0M NaCl, 0.1M NaH2PO4, 0.1M MES , pH 6.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
Unit Cell:
a: 111.307 Å b: 111.307 Å c: 383.222 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 2.92 Solvent Content: 57.54
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 2.400 29.00 65772 3516 99.990 ? 0.22 30.366
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
2.26 29.10 99.500 0.13 0.13 4.500 3.400 ? 83429 ? ? ?
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 2.26 2.32 ? 99.400 0.707 1.000 2.800 ?
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 SSRL BEAMLINE BL11-1 0.953690 SSRL BL11-1
Software
Software Name Purpose Version
REFMAC refinement 5.2.0005
SCALA data scaling .
PDB_EXTRACT data extraction 1.601
MOSFLM data reduction .
CCP4 data scaling (SCALA)
SHELXE model building .
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