4FLL
Human MetAP1 with bengamide analog YZ6, 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 | 47.764, 77.108, 48.617 |
| Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
| Resolution | 21.700 - 1.500 |
| R-factor | 0.1812 |
| Rwork | 0.179 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.503 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.095 | 0.076 | 0.539 |
| Number of reflections | 55956 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 99.9 | 98.4 | 100 |
| Redundancy | 3.8 | 3.6 | 3.7 |
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 |
