5EVE
Crystal structure of Amb a 8 in complex with poly-Pro10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.473, 40.424, 42.004 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 41.980 - 2.550 |
| R-factor | 0.2023 |
| Rwork | 0.201 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5em0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.182 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.550 | 6.920 | 2.550 |
| Rmerge | 0.081 | 0.048 | 0.452 |
| Rmeas | 0.096 | 0.059 | 0.545 |
| Rpim | 0.051 | 0.033 | 0.301 |
| Total number of observations | 13348 | ||
| Number of reflections | 3959 | ||
| <I/σ(I)> | 11 | 2.46 | |
| Completeness [%] | 97.1 | 89.6 | 91.3 |
| Redundancy | 3.4 | 3.1 | 2.8 |
| CC(1/2) | 0.994 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1 M Sodium Citrate, pH 6.5, 100 mM sodium cacodylate |
