4YMZ
DHAP bound Leptospira Interrogans Triosephosphate Isomerase (LiTIM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.758, 103.758, 113.505 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.750 - 1.870 |
| R-factor | 0.17295 |
| Rwork | 0.171 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x22 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.015 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.750 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 54809 | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 92.7 | |
| Redundancy | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 16% PEG 8000, 1mM Ammonium sulfate, 10mM EDTA, 1mM Sodium azide, 100mM BIS/TRIS |
