1NJJ
Crystal structure determination of T. brucei ornithine decarboxylase bound to D-ornithine and to G418
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 98.5 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-04-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.818, 88.540, 150.445 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.450 |
| Rwork | 0.260 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f3t with waters K69 C360 and putrescine removed |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.559 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.069 | 0.620 |
| Total number of observations | 253681 * | |
| Number of reflections | 63372 | |
| <I/σ(I)> | 21.8 | 2.1 |
| Completeness [%] | 96.7 | 93.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.2 * | 289 | Peg 3350, Hepes, DTT, NaCl, D-ornithine, G418, butyrolactone, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 16K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 23 (mg/ml) | |
| 10 | 1 | reservoir | D-Orn | 25 (mM) | pH7.5 |
| 11 | 1 | reservoir | G418 | 100 (mM) | |
| 12 | 1 | drop | D-Orn | 25 (mM) | |
| 13 | 1 | drop | G418 sulfate | 100 (mM) | |
| 2 | 1 | drop | HEPES | 10 (mM) | pH7.2 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | EDTA | 0.5 (mM) | |
| 6 | 1 | drop | Brij-20 | 0.01 (%) | |
| 7 | 1 | reservoir | PEG3350 | 20 (%) | |
| 8 | 1 | reservoir | HEPES | 100 (mM) | pH8.0 |
| 9 | 1 | reservoir | dithiothreitol | 10 (mM) |
