1QXY
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle 618
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2003-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.970, 76.690, 41.660 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.040 |
| R-factor | 0.14358 |
| Rwork | 0.142 |
| R-free | 0.16100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.034 * |
| RMSD bond angle | 1.963 * |
| Data reduction software | XDS |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.100 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.063 * | 0.491 * |
| Number of reflections | 116762 | |
| <I/σ(I)> | 10.2 | 2.6 |
| Completeness [%] | 97.9 * | 97.1 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 * | 294 | Oefner, C., (2003) J. Mol. Biol., 332, 13. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 12 (mg/ml) | |
| 2 | 1 | 1 | HEPES | 50 (mM) | pH7.5 |
| 3 | 1 | 1 | 150 (mM) | ||
| 4 | 1 | 1 | glycerol | 5 (%) | |
| 5 | 1 | 1 | TCEP | 1 (mM) |
