X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Protein solution (16.5 mg/ml): 40 mM Tris-HCl (pH 7.4), 2 mM MgCl2 Well solution: 1.92 ammonium suplhate, 0.096 M Bis-Tris, pH 5.5 Drop: 300 nl (protein) + 150 nl (well solution) Cryo: 200 nl of 40% glycerol were added to the drop.
Unit Cell:
a: 79.22 Å b: 79.22 Å c: 70.41 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 2.54 Solvent Content: 51.58
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 1.900 19.57 18175 881 99.665 ? 0.2424 37.585
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
1.90 19.57 99.8 0.090 ? 18.9 10.3 ? 18175 ? ? ?
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 8.91 19.57 90.5 ? ? 61.8 7.3 ?
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
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.541838 ? ?
Software
Software Name Purpose Version
XSCALE data scaling VERSION Feb 5, 2021 BUILT=20210205
Aimless data scaling Version 0.8.2; no scaling, only merge
PHASER phasing 2.8.3
REFMAC refinement 5.8.0430 (refmacat 0.4.100)
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