4A8T
Crystal structure of putrescine transcarbamylase from Enterococcus faecalis lacking its C-terminal Helix, with bound N5-(phosphonoacetyl) -L-ornithine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-05 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 89.990, 89.990, 184.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.590 |
| R-factor | 0.16308 |
| Rwork | 0.162 |
| R-free | 0.18015 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a8h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.133 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0027) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 30.000 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.080 | 0.370 |
| Number of reflections | 60518 | |
| <I/σ(I)> | 5.7 | 2.1 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 10.1 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M MAGNESIUM CHLORIDE, 30% POLYETHYLENE GLYCOL 400, 0.1 M HEPES, PH 7.5, 1 MM N5-(PHOSPHONOACETYL)-L-ORNITHINE |
