3TDT
COMPLEX OF TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE WITH 2-AMINO-6-OXOPIMELATE AND COENZYME A
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-02 |
| Detector | SIEMENS |
| Spacegroup name | H 3 |
| Unit cell lengths | 96.000, 96.000, 72.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 99.000 - 2.000 |
| R-factor | 0.154 |
| Rwork | 0.152 |
| R-free | 0.22500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tdt |
| RMSD bond length | 0.019 |
| RMSD bond angle | 23.200 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | X-PLOR |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.100 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.045 | 0.103 |
| Number of reflections | 48370 | |
| <I/σ(I)> | 31.2 | 6.9 |
| Completeness [%] | 97.1 | 87.2 |
| Redundancy | 3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.4 * | 16 % (W/V) POLYETHYLENE GLYCOL 4000 100 MM TRIS, PH 8.0 200 MM AMMONIUM SULFATE 5 % (V/V) 2-PROPANOL 5 MM 2,3,4,5-TETRAHYDRODIPICOLINATE 20 MM COENZYME A |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG4000 | 10-13 (%(w/v)) | |
| 2 | 1 | drop | MES | 94 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 94 (mM) | |
| 4 | 1 | drop | 2-propanol | 4.7 (%(v/v)) | |
| 5 | 1 | reservoir | (D,L)-2-aminopimelate | 16 (mM) | |
| 6 | 1 | reservoir | CoA | 2.5 (mM) |
