3PKC
M. tuberculosis MetAP with bengamide analog Y08, in Mn form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Collection date | 2009-10-31 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.667, 79.945, 65.055 |
| Unit cell angles | 90.00, 91.80, 90.00 |
Refinement procedure
| Resolution | 28.820 - 1.470 |
| R-factor | 0.1855 |
| Rwork | 0.184 |
| R-free | 0.21620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.389 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.470 | 3.990 | 1.470 |
| Rmerge | 0.075 | 0.053 | 0.481 |
| Number of reflections | 45772 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 91.2 | 95.1 | 98.4 |
| Redundancy | 4.8 | 4.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1M Bis-Tris, pH 5.5, 1.3M Ammonium Sulfate, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |
