X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 Fab (11.6 mg/mL) was mixed at a 1:1 ratio with precipitant containing 0.1 M Tris (pH 7.0), 24% PEG 3350, and 20% ethylene glycol. Crystals were harvested and directly vitrified in liquid nitrogen without further cryopreservation
Unit Cell:
a: 62.461 Å b: 64.277 Å c: 204.890 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.10 Solvent Content: 41.52
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 2.50 46.09 29330 1372 99.81 0.2112 0.2566 ?
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
2.50 46.81 99.9 0.061 ? 22.0 6.6 ? 29417 ? ? 21.61
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 2.50 2.60 100.0 ? ? 3.5 6.8 ?
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 8.2.1 1.000 ALS 8.2.1
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
Aimless data scaling .
XDS data reduction .
PHENIX phasing .
PDB_EXTRACT data extraction .
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