X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 294 0.1M sodium citrate pH 6.0 14% PEG 4000 200mM Ammonium Sulfate 1mM MnCl2 1mM ciprofloxacin
Unit Cell:
a: 179.033 Å b: 179.033 Å c: 163.298 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 63 2 2
Crystal Properties:
Matthew's Coefficient: 3.39 Solvent Content: 63.68
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 2.85 43.67 36096 1800 98.57 0.2065 0.2344 58.30
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
2.85 50.00 99.2 0.168 ? 3.7 15.5 ? 36343 ? ? 51.72
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 2.85 2.90 ? ? ? 1.29 ? ?
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 APS BEAMLINE 22-ID 1.000 APS 22-ID
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
PHENIX refinement 1.20.1_4487
HKL-3000 data reduction .
HKL-3000 data scaling .
PHASER phasing .
Feedback Form
Name
Email
Institute
Feedback