X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.1 298 10 mM Hepes pH 7.1, 0.05 M NaSCN, 20% ethylene glycol, 2 mM DTT, 13% polyethylene glycol 3350, with benzamidine (1%) added to the drop, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 42.096 Å b: 42.223 Å c: 152.240 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.06 Solvent Content: 40.23
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 SAD THROUGHOUT 1.55 29.8 37250 1966 96.97 0.1972 0.23106 18.566
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 29.8 96.97 ? 0.115 25.7 10.8 ? 39281 0 0 ?
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 1.58 83 ? 0.378 2.4 5.3 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 ? K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 21-ID-D 0.97933, 0.97856 APS 21-ID-D
Software
Software Name Purpose Version
MAR345 data collection .
ARP/wARP model building .
REFMAC refinement 5.5.0072
HKL-2000 data reduction .
HKL-2000 data scaling .
Feedback Form
Name
Email
Institute
Feedback