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 |