X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 277 50mM 2-(N-morpholino) ethanesulfonic acid, pH 5.5, 24% 2-methyl-2, 4-pentanediol (MPT), 0.1M magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 92.312 Å b: 92.312 Å c: 232.272 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.08 Solvent Content: 60.00
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 FREE R-VALUE 2.90 40.17 26078 1319 99.39 0.2907 0.3290 58.55
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
2.90 40.17 99.39 ? ? 19.72 17.76 ? 26078 ? ? 68.11
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 2.9 3.0 98.52 ? ? ? ? ?
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 SSRF BEAMLINE BL10U2 0.979183 SSRF BL10U2
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX model building 1.21.2.54.19
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