X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291.15 0.1 M Tris-HCl pH 7.5, 33% w/v PEG 6000, 0.1 M Magnesium chloride, 0.008 M 2-mercaptoethanol
Unit Cell:
a: 34.517 Å b: 57.016 Å c: 61.342 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 1.94 Solvent Content: 36.8
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 1.10 41.76 49252 2463 98.65 0.1309 0.1510 16.83
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
1.10 41.76 98.66 ? ? 24.92 11.5 ? 49254 ? ? 10.58
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 1.100 1.139 87.44 ? ? 2.93 4.8 ?
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 LNLS SIRIUS BEAMLINE MANACA 0.97718 LNLS SIRIUS MANACA
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
PHASER phasing 2.8.3
XDS data scaling BUILT=20230630
XDS data reduction BUILT=20230630
MxCuBE data collection .
Feedback Form
Name
Email
Institute
Feedback