X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Protein solution (55 mg/ml): 40 mM Tris, pH 7.4, 2 mM MgCl2 Well solution: 0.1 M succinic acid, pH 7.0, 15 % PEG 3350 Drops: 2:1 ratio.
Unit Cell:
a: 37.03 Å b: 53.76 Å c: 44.65 Å α: 90° β: 100.62° γ: 90°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.01 Solvent Content: 38.69
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 1.600 19.19 21566 1084 94.472 ? 0.2002 21.839
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
1.60 19.19 94.6 0.046 ? 13.2 3.1 ? 21566 ? ? ?
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 8.76 19.19 88.3 ? ? 56.1 3.3 ?
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
SYNCHROTRON ESRF BEAMLINE ID29 0.97372 ESRF ID29
Software
Software Name Purpose Version
XSCALE data scaling VERSION Jun 30, 2024 BUILT=20240723
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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