3NMQ
Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-03-19 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.515, 90.048, 95.182 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uym |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.063 | |
| Number of reflections | 13686 | |
| Completeness [%] | 94.6 | 94.5 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 277 | 0.1M Na Cacodylate, 20% PEG 2000 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
