X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 293 20.8 mg/ml protein in 20mM HEPES/NaOH pH 7.4, 0.1 M NaCl, 100 mM MgCl2, 30mM NH4Cl mixed 1+1 with 0.050 M zinc chloride, 5 %w/v PEG 3350, 0.75 M ammonium acetate, 0.1 M Bis-Tris/HCl pH 5.5 plus 15x and 3x molar excess of ADPNP and DHU
Unit Cell:
a: 74.841 Å b: 184.988 Å c: 289.013 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 3.57 Solvent Content: 65.54
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 THROUGHOUT 2.5800 57.0400 97423 4829 76.6400 0.1955 0.2255 72.7561
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
2.580 77.90 99.900 0.089 ? 12.310 6.835 ? 127176 ? ? 59.220
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 2.580 2.650 99.900 ? ? 0.640 6.960 ?
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 SLS BEAMLINE X10SA 0.99989 SLS X10SA
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement 1.21.1_5286
PDB_EXTRACT data extraction 3.28
XDS data reduction .
PHASER phasing .
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