5BMQ
Crystal structure of L,D-transpeptidase (Yku) from Stackebrandtia nassauensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97899 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 143.356, 143.356, 143.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.080 - 2.050 |
| R-factor | 0.1549 |
| Rwork | 0.154 |
| R-free | 0.17810 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.949 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.077 | 0.035 | 0.860 |
| Total number of observations | 225239 | ||
| Number of reflections | 30882 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 99.7 | 94.7 | 100 |
| Redundancy | 7.3 | 6.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 1.6 M ammonium sulfate, 0.1 M MES, pH 6.5, 10% dioxane |
