1IF2
X-RAY STRUCTURE OF LEISHMANIA MEXICANA TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH IPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.234, 52.825, 58.937 |
| Unit cell angles | 90.00, 118.03, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.136 |
| Rwork | 0.160 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.100 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.158 |
| Total number of observations | 74174 * | |
| Number of reflections | 18318 | |
| <I/σ(I)> | 16.2 | 9.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | PEG 6000, CH3COOH/NaOH, pH 4.5, VAPOR DIFFUSION, HANGING DROP at 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 21 (%) | |
| 2 | 1 | reservoir | 100 (mM) | pH4.5 | |
| 3 | 1 | reservoir | dithiothreitol | 1 (mM) | reduced |
| 4 | 1 | reservoir | EDTA | 1 (mM) | |
| 5 | 1 | reservoir | sodium azide | 1 (mM) | |
| 6 | 1 | drop | protein | 11 (mg/ml) | |
| 7 | 1 | drop | 2-phosphoglycolate | 10 (mM) |
