3NE1
Mycobacterium tuberculosis Acyl Carrier Protein Synthase in complex with sulfate ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 83.123, 104.872, 105.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.070 - 2.510 |
| R-factor | 0.23111 |
| Rwork | 0.228 |
| R-free | 0.30123 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.054 |
| RMSD bond angle | 3.348 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.510 |
| Rmerge | 0.030 |
| Number of reflections | 15471 |
| <I/σ(I)> | 13.8 |
| Completeness [%] | 95.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.6% PEG 4K, 0.07 M sodium acetate pH 4.6 to 5.5, 50 mM ammonium sulfate, 30% glycerol., EVAPORATION |
