3PKE
M. tuberculosis MetAP with bengamide analog Y10, in Ni form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Collection date | 2009-07-18 |
| Spacegroup name | P 63 |
| Unit cell lengths | 105.454, 105.454, 50.124 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.060 - 1.600 |
| R-factor | 0.1743 |
| Rwork | 0.172 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.216 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.153 | 0.057 | 0.813 |
| Number of reflections | 41930 | ||
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 99.5 | 93.2 | 100 |
| Redundancy | 6.2 | 6.4 | 6.1 |
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 AMS, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |
