3JYY
SeMet LinB complexed with PPi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.994, 96.343, 103.645 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.680 - 2.100 |
R-factor | 0.18076 |
Rwork | 0.179 |
R-free | 0.22197 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.139 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 67461 | |
<I/σ(I)> | 12.7 | 6.7 |
Completeness [%] | 99.0 | 89.6 |
Redundancy | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 283 | 0.1M Tris-HCl, 20% PEG 3350, 0.1M Magnesium formate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |