X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Protein concentration: 5.75 mg/ml Crystallization buffer: 25% PEG 3350, 0.2 M ammonium acetate, 0.1 M HEPES pH 7.5.
Unit Cell:
a: 38.989 Å b: 70.387 Å c: 55.136 Å α: 90.000° β: 100.464° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.16 Solvent Content: 43.01
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 1.50 42.95 46561 2308 99.3068293307 0.149993543044 0.186964775621 27.3218185464
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
1.5 42.95 99.4 0.047 ? 17.5 6.9 ? 46597 ? ? 18.6396882819
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 1.50 1.53 99.9 ? ? 2.7 7.0 ?
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 DIAMOND BEAMLINE I04 0.97628 Diamond I04
Software
Software Name Purpose Version
PHENIX refinement 1.10.1_2155
autoPROC data reduction .
Aimless data scaling .
MOLREP phasing .
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