X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.6 298 0.1 M Hepes, 15% PEG 3,350, 10% tacsimate, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 141.297 Å b: 141.297 Å c: 143.530 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 2.62 Solvent Content: 53.13
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 3.00 47.19 27629 1481 98.00 0.28304 0.31442 39.487
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
3.0 57.83 98.4 0.067 0.039 13.8 3.6 ? 29147 2.0 2.0 105
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 3.00 3.16 94.9 ? ? 1.3 2.4 4033
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 ESRF BEAMLINE ID14-4 0.97650 ESRF ID14-4
Software
Software Name Purpose Version
ADSC data collection Quantum
PHASER phasing .
REFMAC refinement 5.5.0066
MOSFLM data reduction .
SCALEPACK data scaling .
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