4IZ9
Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-08 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 95.770, 95.770, 141.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.390 - 1.980 |
| R-factor | 0.1741 |
| Rwork | 0.172 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p4i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.429 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 | |
| High resolution limit [Å] | 1.980 | 9.840 | 1.980 |
| Rmerge | 0.116 | 0.039 | 0.524 |
| Number of reflections | 44007 | 393 | 2489 |
| <I/σ(I)> | 17.92 | 45.74 | 6.34 |
| Completeness [%] | 99.7 | 85.4 | 100 |
| Redundancy | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | MyavA.00640.a.A1 PS00663 at 20 mg/mL with 2 mM ApCpp and 2 mM MnCl2 against PACT screen condition A4, 0.1 M SPG buffer pH 7.0, 25% PEG 3350 and 15% ethylene glycol as cryo-protectant, crystal tracking ID 236958a4, unique puck ID lqa0-2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
