4ZUM
Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a trifluoromethylketone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.119, 121.351, 64.295 |
| Unit cell angles | 90.00, 96.76, 90.00 |
Refinement procedure
| Resolution | 38.893 - 1.420 |
| R-factor | 0.1339 |
| Rwork | 0.133 |
| R-free | 0.15310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q9b |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.341 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1833) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.900 | 1.470 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.070 | 0.328 |
| Number of reflections | 128460 | |
| <I/σ(I)> | 20.4 | 4.8 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2 M LiNO3, 20% (w/v) PEG 3,350 |
