5FPE
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-06-06 |
| Detector | RIGAKU SATURN CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.860, 94.960, 81.540 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 40.770 - 1.960 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fpd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.050 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CSEARCH |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.800 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.100 | 0.340 |
| Number of reflections | 53193 | |
| <I/σ(I)> | 6.2 | 1.8 |
| Completeness [%] | 97.1 | 84.1 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 1.0M NACL, 0.1M TRIS/HCL PH=8, 20.0% W/V PEG 8000. PROTEIN CONC. = 11MG/ML. |
