X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 295 Protein solution: 7.5mg/mL, 0.25M NaCl, 1mM 3-dehydroshikimate, Tris-HCl pH 8.3. Screen solution: 0.2M Magnesium chloride, 0.1M Tris-HCl pH 7.0, 10% w/v PEG 8000 , VAPOR DIFFUSION, SITTING DROP, temperature 295K
Unit Cell:
a: 60.472 Å b: 139.619 Å c: 66.774 Å α: 90.00° β: 90.63° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.41 Solvent Content: 49.05
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 THROUGHOUT 2.20 29.55 53068 2839 99.76 0.19161 0.24147 21.947
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
2.20 30.0 99.9 0.066 ? 17.3 3.8 55938 55938 ? -3.0 44.6
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 2.20 2.24 100.0 ? ? 2.2 3.8 2854
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 APS BEAMLINE 21-ID-F 0.97872 APS 21-ID-F
Software
Software Name Purpose Version
Blu-Ice data collection Max
PHASER phasing .
REFMAC refinement 5.5.0102
HKL-2000 data reduction .
HKL-2000 data scaling .
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