5UR2
Crystal structure of proline utilization A (PutA) from Bdellovibrio bacteriovorus inactivated by N-propargylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 144.330, 158.649, 221.152 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 128.910 - 2.230 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nme |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.872 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 128.909 | 2.350 |
| High resolution limit [Å] | 2.228 | 2.230 |
| Rmerge | 0.493 | |
| Number of reflections | 241211 | |
| <I/σ(I)> | 10 | 1.6 |
| Completeness [%] | 97.9 | 98.3 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 293 | 19% PEG 3350, 0.25M KSCN |
