X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 0.48M Lithium Sulfate, 22% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 242.620 Å b: 242.620 Å c: 47.140 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 4 2 2
Crystal Properties:
Matthew's Coefficient: 4.97 Solvent Content: 75.23
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 MOLECULAR REPLACEMENT THROUGHOUT 2.370 47.580 27499 1473 99.730 0.237 0.283 32.734
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
2.369 47.582 99.900 ? 0.134 ? 14.900 28994 28994 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 2.37 2.50 99.4 ? 0.99 2.5 11.2 4118
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 BEAMLINE X6A 1.000 NSLS X6A
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling 3.3.16
PHASER phasing .
REFMAC refinement 5.5.0109
PDB_EXTRACT data extraction 3.100
Blu-Ice data collection .
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