5FPD
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) 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 | 2008-05-30 |
| Detector | RIGAKU SATURN CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.800, 95.062, 81.779 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 38.340 - 1.970 |
| R-factor | 0.1729 |
| Rwork | 0.170 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s3x |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.010 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.300 | 2.030 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.050 | 0.160 |
| Number of reflections | 53188 | |
| <I/σ(I)> | 12.7 | 3.7 |
| Completeness [%] | 97.9 | 88.4 |
| Redundancy | 2 |
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. = 9MG/ML. |
