4HXX
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-04-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.500, 77.403, 48.068 |
| Unit cell angles | 90.00, 90.92, 90.00 |
Refinement procedure
| Resolution | 25.330 - 2.090 |
| R-factor | 0.1936 |
| Rwork | 0.190 |
| R-free | 0.25790 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.551 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 4.500 | 2.090 |
| Rmerge | 0.117 | 0.066 | 0.490 |
| Number of reflections | 20262 | ||
| <I/σ(I)> | 14.9 | ||
| Completeness [%] | 97.9 | 99.3 | 86.6 |
| Redundancy | 3.5 | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 14-20 % PEG monomethyl ether 2000, 100 mM MES, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
