4A8P
Crystal structure of putrescine transcarbamylase from Enterococcus faecalis with N5-(phosphonoacetyl)-L-ornithine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.520, 81.710, 82.280 |
| Unit cell angles | 105.43, 102.80, 100.75 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a8h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.009 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.420 |
| Number of reflections | 114553 | |
| <I/σ(I)> | 10.9 | 1.8 |
| Completeness [%] | 87.5 | 87.5 |
| Redundancy | 1.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2 M AMMONIUM ACETATE, 25% POLYETHYLENE GLYCOL 3350, 0.1 M BIS-TRIS PH 5.5, 1 MM N5- (PHOSPHONOACETYL)-L-ORNITHINE |
