1X3N
Crystal structure of AMPPNP bound Propionate kinase (TdcD) from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-11-04 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.275, 111.275, 66.813 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.560 - 2.300 |
Rwork | 0.197 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | TdcD bound with ADP |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.062 | 0.458 |
Number of reflections | 20613 | |
<I/σ(I)> | 23.37 | 2.84 |
Completeness [%] | 99.5 | 96.7 |
Redundancy | 32.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 291 | PEGMME500, PEGMME2000, PEGMME5000, Bis-Tris, Pentaerythritol ethoxylate, pH 6.5, VAPOR DIFFUSION, temperature 291K |