X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 291 100 mM Tris, pH 8.5, 200 mM NaCl, 25% PEG 3350, PsaeA.00612.a.B3.PW39509 at 15 mg/mL. 12A_25-112 drop C12, Puck: PSL-0115, Cryo: 20% PEG200 + 80% crystallant
Unit Cell:
a: 59.886 Å b: 96.064 Å c: 88.001 Å α: 90.00° β: 105.76° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.12 Solvent Content: 42.02
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 1.62 48.03 118320 5733 97.37 0.1651 0.1909 ?
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
1.62 48.03 97.5 0.091 ? 11.6 7.1 ? 118369 ? ? ?
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 1.62 1.65 ? 96.1 ? ? 7.3 ?
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 NSLS-II BEAMLINE 19-ID 0.9786 NSLS-II 19-ID
Software
Software Name Purpose Version
PHENIX refinement dev_6082
Aimless data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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