X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 291 1.1M Sodium Malonate 0.1M Hepes 0.5% w/v Jeffamine ED-2001
Unit Cell:
a: 121.821 Å b: 89.579 Å c: 87.107 Å α: 90.000° β: 125.540° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.73 Solvent Content: 55.00
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 1.9600 70.8820 54485 2736 99.6200 0.2191 0.2675 21.6744
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
1.960 70.9 99.900 0.149 ? 5.600 3.600 ? 54634 0 ? 17.580
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 1.960 2.070 99.900 ? ? ? 3.000 ?
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 I04-1 0.92820 Diamond I04-1
Software
Software Name Purpose Version
XDS data reduction .
Aimless data scaling 0.5.1
PHASER phasing .
PHENIX refinement .
PDB_EXTRACT data extraction 3.24
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