4A8H
Crystal structure of putrescine transcarbamylase from Enterococcus faecalis with N-(phosphonoacetyl)-putrescine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-21 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 117.200, 117.200, 225.345 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.000 - 2.500 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.21651 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a1s |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.165 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 20.000 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | 0.430 |
| Number of reflections | 32509 | |
| <I/σ(I)> | 35.1 | 9.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.3 | 21.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 125 MM AMMONIUM SULPHATE, 17% PEG 3350, 0.1 M BIS-TRIS PH 5.5, 0.43 MM N-(PHOSPHONOACETYL)PUTRESCINE |
