2Y63
Crystal structure of Leishmanial E65Q-TIM complexed with Bromohydroxyacetone phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.880, 50.663, 58.830 |
| Unit cell angles | 90.00, 118.14, 90.00 |
Refinement procedure
| Resolution | 51.990 - 1.970 |
| R-factor | 0.13685 |
| Rwork | 0.135 |
| R-free | 0.16956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n55 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.040 | 0.050 |
| Number of reflections | 18363 | |
| <I/σ(I)> | 29.1 | 20.7 |
| Completeness [%] | 98.8 | 97 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 21% PEG 6000, 0.1 M SODIUM ACETATE PH 4.5 - 5.5, 1MM DTT, 1MM EDTA, 1MM NAN3. |
