4IMO
Crystal structure of wild type human Lipocalin PGDS in complex with substrate analog U44069
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 198 |
| Detector technology | CCD |
| Collection date | 2011-09-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.240, 56.380, 72.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.490 - 1.880 |
| R-factor | 0.19174 |
| Rwork | 0.189 |
| R-free | 0.24154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2czt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.508 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.490 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.078 | 0.359 |
| Number of reflections | 12735 | |
| <I/σ(I)> | 7.4 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M potassium thiocyanate, 30% PEG MME 2000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
