X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 292 0.2 M calcium acetate hydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 18 % w/v polyethylene glycol 8,000
Unit Cell:
a: 76.820 Å b: 35.210 Å c: 77.670 Å α: 90.00° β: 112.67° γ: 90.00°
Symmetry:
Space Group: P 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.58 Solvent Content: 52.35
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 1.55 42.82 55643 2226 98.75 0.1811 0.2016 ?
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
1.55 42.82 98.6 0.045 ? 14.02 3.4 ? 55646 ? ? ?
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 1.55 1.59 93.1 ? ? 1.88 2.8 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 93 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS-II BEAMLINE 19-ID 0.97849 NSLS-II 19-ID
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487)
XSCALE data scaling BUILT=20230630
XDS data reduction BUILT=20230630
PHENIX phasing 1.20.1_4487
Feedback Form
Name
Email
Institute
Feedback