X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.25 289.15 10% w/v PEG 4000, 20% v/v glycerol, 0.03 M of magnesium chloride, 0.03M calcium chloride, 0.1 M MES/imidazole pH 7.25
Unit Cell:
a: 78.405 Å b: 78.405 Å c: 326.900 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.92 Solvent Content: 57.83
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 2.62 30.17 31696 1613 99.44 0.2305 0.2651 60.95
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
2.62 30.90 99.8 0.158 ? 20.8 25.6 ? 31770 ? ? ?
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 2.62 2.74 99.6 ? ? 2.6 25.6 ?
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 NFPSS BEAMLINE BL19U1 0.96183 NFPSS BL19U1
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
XDS data reduction 1.20.1_4487
Aimless data scaling .
PHENIX phasing .
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