X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 298 0.2M MAGNESIUM CHLORIDE, 0.1M TRIS-CL pH 8.5, 30%(W/V) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 66.130 Å b: 61.250 Å c: 89.940 Å α: 90.00° β: 104.29° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.78 Solvent Content: 55.73
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 Rfree 2.900 43.579 14182 705 90.43 0.2482 0.2790 65.1967
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
2.900 44.278 94.100 ? 0.106 5.100 2.200 14717 14717 ? ? ?
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 2.900 3.060 95.300 ? 0.353 2.1 2.200 2150
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 ID23-1 1.0066 ESRF ID23-1
Software
Software Name Purpose Version
DNA data collection .
Auto-Rickshaw phasing .
PHASER phasing .
PHENIX refinement 1.6.1_357
iMOSFLM data reduction .
SCALA data scaling .
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