5AIP
Crystal structure of NadR in complex with 4-hydroxyphenylacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-29 |
| Detector | DECTRIS PILATUS 2M-F |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 75.310, 75.310, 91.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.197 - 2.300 |
| R-factor | 0.2115 |
| Rwork | 0.209 |
| R-free | 0.26020 |
| Structure solution method | SAD |
| Starting model (for MR) | 2fbi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.085 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 12320 | |
| <I/σ(I)> | 25.5 | 9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 23.6 | 23.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | H4 MORPHEUS SCREEN (MOLECULAR M AMINO ACIDS, PH 6.5 |
