X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.8 296 0.1M sodium acetate, 0.3M sodium tartrate, 9% PEG4000, 0.15% sodium cholate, 0.1M NDSB-256, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 296K
Unit Cell:
a: 94.980 Å b: 116.570 Å c: 191.370 Å α: 98.510° β: 104.080° γ: 108.510°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 4.25 Solvent Content: 71.05
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 MAD THROUGHOUT 3.0000 19.9910 126323 2546 86.4600 0.2329 0.2816 76.9128
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
3.00 29.979 95.5 ? 0.165 4.200 2.600 139150 139150 0 0 65.9
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 3.000 3.160 96.000 ? 1.217 0.800 2.600 20452
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 ID29 0.9789, 0.9790, 0.85, 1.00 ESRF ID29
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling 3.3.16
PHENIX refinement 1.6.4_486
PDB_EXTRACT data extraction 3.10
ADSC data collection Quantum
SHARP phasing .
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