4AZM
Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-09-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 104.670, 104.670, 58.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| R-factor | 0.20739 |
| Rwork | 0.205 |
| R-free | 0.25195 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b56 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.450 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.060 | 0.600 |
| Number of reflections | 8919 | |
| <I/σ(I)> | 35.6 | 4.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.4 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.32 M SODIUM CITRATE, 0.1 M HEPES PH 7.0, SATURATED WITH RESPECT TO BMS-309403, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K. CRYOPROTECTION: 28% GLYCEROL IN MOTHER LIQUOR. |
