5FQU
Orthorhombic crystal structure of of PlpD (selenomethionine derivative)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.743, 113.393, 130.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.570 - 2.740 |
| R-factor | 0.19805 |
| Rwork | 0.196 |
| R-free | 0.23801 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.416 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.580 | 2.900 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Number of reflections | 19015 | |
| <I/σ(I)> | 10.42 | 2.81 |
| Completeness [%] | 99.5 | 96.5 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20%W/V PEG3350, 200MM SODIUM NITRATE, 0.6% N-DODECYL-BETA-D MALTOSIDE |
