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 |