5FPN
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) 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 | 2008-07-22 |
| Detector | RIGAKU SATURN CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.820, 94.850, 81.870 |
| Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
| Resolution | 40.940 - 1.960 |
| R-factor | 0.1773 |
| Rwork | 0.174 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fpd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.040 |
| 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] | 40.900 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.070 | 0.250 |
| Number of reflections | 53549 | |
| <I/σ(I)> | 7.8 | 2.4 |
| Completeness [%] | 97.0 | 81.4 |
| Redundancy | 2.5 |
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. = 11 MG/ML. |
