4PQA
Crystal Structure of succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 in complex with the Inhibitor Captopril
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 | 2013-12-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.921, 151.487, 55.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.550 - 1.780 |
| R-factor | 0.16381 |
| Rwork | 0.162 |
| R-free | 0.19622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.600 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.065 | |
| Number of reflections | 46112 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 97.7 | 99.3 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Ammonium acetate 0.1M Tris8.5; 25% w/vPolyethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
