4GNJ
Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-09 |
| Detector | RAYONIX SX-165mm |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 39.580, 78.790, 83.160 |
| Unit cell angles | 90.00, 101.15, 90.00 |
Refinement procedure
| Resolution | 21.610 - 1.930 |
| R-factor | 0.15373 |
| Rwork | 0.151 |
| R-free | 0.19932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1amk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.358 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.600 | 81.600 | 2.030 |
| High resolution limit [Å] | 1.930 | 6.100 | 1.930 |
| Rmerge | 0.054 | 0.028 | 0.202 |
| Number of reflections | 35257 | ||
| <I/σ(I)> | 14.2 | 17.2 | 3.8 |
| Completeness [%] | 93.7 | 95.9 | 90.2 |
| Redundancy | 3.3 | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 291 | 0.20M calcium acetate, 0.10M sodium cacodylate trihydrate, 18% PEG 8000, pH 6.5, MICROBATCH, temperature 291K |
