1TAE
Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.296, 135.179, 115.797 |
| Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
| Resolution | 24.770 - 2.700 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Domain 1b of NMN bound structure of E. faecalis ligase (PDB ID: 1TA8) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2000.1) |
| Refinement software | CNX (2000.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 50300 | |
| <I/σ(I)> | 13.1 | 4.2 |
| Completeness [%] | 98.3 | 97.3 |
| Redundancy | 3.84 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 286 | Ammonium sulfate, cacodylate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
