1QDS
SUPERSTABLE E65Q MUTANT OF LEISHMANIA MEXICANA TRIOSEPHOSPHATE ISOMERASE (TIM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-22 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.260, 52.790, 58.880 |
| Unit cell angles | 90.00, 118.09, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| Rwork | 0.153 |
| R-free | 0.19500 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.040 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.091 | 0.169 |
| Total number of observations | 98464 * | |
| Number of reflections | 17304 * | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 94.4 | 41.4 |
| Redundancy | 5.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 16 % PEG 6000 10 MM PGA, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 16 (%) | |
| 2 | 1 | reservoir | EDTA | 1 (mM) | |
| 3 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 4 | 1 | reservoir | 1 (mM) | ||
| 5 | 1 | reservoir | acetic acid/NaOH | 100 (mM) | |
| 6 | 1 | reservoir | 2-phosphoglycolate | 10 (mM) |
