X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 290 Microlytic MCSG1 screen, G8: 25% PEG 3350, 200mM Ammonium sulfate, 100mM Tris Base/HCl pH 8.5: HepyC.18002.a.B1.PS38436 at 19.87mg/ml: cryo: 15% EG: tray 3301220G8: puck eko9-11
Unit Cell:
a: 137.580 Å b: 91.380 Å c: 95.040 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.18 Solvent Content: 43.5
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 2.1000 47.5760 70175 2044 99.4000 0.1690 0.2077 55.9961
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
2.100 47.576 99.400 0.039 ? 25.590 6.543 ? 70182 ? ? 50.265
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 2.100 2.150 100.000 ? ? 3.360 6.670 ?
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 ALS BEAMLINE 5.0.1 0.97741 ALS 5.0.1
Software
Software Name Purpose Version
XDS data reduction .
XSCALE data scaling .
PHENIX refinement 1.14_3247
PDB_EXTRACT data extraction 3.24
PHASER phasing .
PARROT phasing .
Coot model building .
ARP/wARP model building .
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