X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 293 16% PEG 4000, 200mM NaCl, 100mM Tris-HCL (pH7.4), VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 118.032 Å b: 37.374 Å c: 39.315 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.02 Solvent Content: 39.14
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 ? 2.6760 39.300 5242 238 98.7900 0.1854 0.2703 14.8499
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
2.6760 39.3150 98.1 0.049 ? ? 6.4 ? 5242 0 0 18.780
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 2.68 2.74 87.7 ? ? 1.98 4.3 631
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 BL17U 0.9724 SSRF BL17U
Software
Software Name Purpose Version
PHENIX refinement 1.7.3_928
PDB_EXTRACT data extraction 3.11
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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