5UMP
Crystal structure of TnmS3, an antibiotic binding protein from Streptomyces sp. CB03234
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2015-11-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.630, 67.820, 83.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.080 |
R-factor | 0.18548 |
Rwork | 0.185 |
R-free | 0.20301 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hc5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.427 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP (5.8.0155) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.100 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.049 | 0.620 |
Rmeas | 0.054 | 0.691 |
Rpim | 0.021 | 0.298 |
Number of reflections | 106971 | 4861 |
<I/σ(I)> | 31.6 | 1.9 |
Completeness [%] | 95.3 | 88 |
Redundancy | 6.4 | 4.8 |
CC(1/2) | 0.997 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM ammonium acetate, 100 mM bis-tris, and 17% w/v polyethylene glycol 3350 |