5C4L
Conformational alternate of sisomicin in complex with APH(2")-IVa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.972957 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.220, 65.040, 78.780 |
Unit cell angles | 90.00, 91.18, 90.00 |
Refinement procedure
Resolution | 37.100 - 2.350 |
R-factor | 0.2296 |
Rwork | 0.227 |
R-free | 0.27840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n57 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.538 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.100 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.034 | 0.230 |
Number of reflections | 28377 | |
<I/σ(I)> | 8.9 | 2.5 |
Completeness [%] | 94.7 | 96.6 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291.15 | 12% PEG3350, 50-90 mM Ammonium citrate |