4FLI
Human MetAP1 with bengamide analog Y16, in Mn form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.771, 77.562, 48.811 |
| Unit cell angles | 90.00, 90.18, 90.00 |
Refinement procedure
| Resolution | 24.410 - 1.550 |
| R-factor | 0.1845 |
| Rwork | 0.183 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.382 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.590 |
| High resolution limit [Å] | 1.550 | 4.230 | 1.560 |
| Rmerge | 0.096 | 0.090 | 0.534 |
| Number of reflections | 50632 | ||
| <I/σ(I)> | 15.1 | ||
| Completeness [%] | 99.8 | 97.7 | 99.3 |
| Redundancy | 3.7 | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 8 | 200 mM sodium acetate, 20% PEG 3350, pH 8.0, microbatch under oil |
