1IOV
COMPLEX OF D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHONATE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.600, 51.000, 51.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| Rwork | 0.156 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dln |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.400 | |
| High resolution limit [Å] | 2.200 | 2.200 * |
| Rmerge | 0.067 * | 0.380 * |
| Total number of observations | 34347 * | |
| Number of reflections | 10991 * | 3959 * |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 75.0 | 55 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | AMMONIUM SULFATE, pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | ATP | 5 (mM) | |
| 2 | 1 | 1 | D-Ala-D-alpha-hydroxybutyrate phosphonate | 5 (mM) | |
| 3 | 1 | 1 | ammonium sulfate | 60 (%(v/v)sat) | |
| 4 | 1 | 1 | MES | 25 (mM) | |
| 5 | 1 | 1 | 2 (mM) | ||
| 6 | 1 | 1 | 2 (mM) |
