X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Protein solution (100 mg/ml): 40 mM Tris, pH 7.4, 2 mM MgCl2 Well solution: 0.15 M DL-malic acid, pH 7.0, 20 % PEG 3350 Drops: 1:1 ratio.
Unit Cell:
a: 36.26 Å b: 53.42 Å c: 49.02 Å α: 90° β: 96.093° γ: 90°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.17 Solvent Content: 43.27
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 1.305 24.53 39783 1982 87.808 ? 0.1890 20.116
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
1.30 24.53 88.1 0.037 ? 14.8 2.9 ? 39795 ? ? ?
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 7.15 24.53 94.3 ? ? 53.0 3.1 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 295 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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