3ZTD
pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 94.081, 94.081, 366.494 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.040 - 2.790 |
| R-factor | 0.22866 |
| Rwork | 0.224 |
| R-free | 0.30898 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zrf |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.203 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.960 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.140 | 0.580 |
| Number of reflections | 42297 | |
| <I/σ(I)> | 16.78 | 4.71 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 14.2 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M NA CITRATE PH 5.7, 0.2 M MG ACETATE, 15% PEG8000, 50 MM DTT. |
