4GO4
Crystal structure of PnpE in complex with Nicotinamide adenine dinucleotide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.911, 154.539, 143.435 |
| Unit cell angles | 90.00, 95.24, 90.00 |
Refinement procedure
| Resolution | 37.243 - 3.099 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4go3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.555 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.080 | 0.028 | 0.603 |
| Number of reflections | 69131 | ||
| <I/σ(I)> | 15.5 | 45.3 | 2 |
| Completeness [%] | 91.6 | 99.5 | 84.8 |
| Redundancy | 3.6 | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M BICINE pH 8.5, 20% PEG 10000, 1mM NAD, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
