4I52
scMenB im complex with 1-hydroxy-2-naphthoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 138.843, 138.843, 221.217 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.596 - 2.350 |
R-factor | 0.23016 |
Rwork | 0.229 |
R-free | 0.25556 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eml |
RMSD bond length | 0.006 |
RMSD bond angle | 1.297 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.596 | 46.596 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 102666 | |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 294 | 0.15M ammonium acetate, 0.3M ammonium sulfate, 16% PEG3350, 100mM Bis-Tris buffer, 0.1M Proline(or 0.1M Taurine), pH 5.70, VAPOR DIFFUSION, HANGING DROP, temperature 294K |