1Q12
Crystal Structure of the ATP-bound E. coli MalK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2001-11-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.880, 97.278, 101.862 |
| Unit cell angles | 74.59, 82.47, 76.85 |
Refinement procedure
| Resolution | 15.000 * - 2.600 |
| R-factor | 0.258 |
| Rwork | 0.258 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g29 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 24.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.106 * | 0.283 |
| Number of reflections | 124917 | 8481 * |
| <I/σ(I)> | 18.5 | 5.4 |
| Completeness [%] | 89.9 * | 60.1 * |
| Redundancy | 3.9 | 2.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 273 | PEG 4000, glycerol, Sodium Acetate, Tris, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | ATP | 1 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | glycerol | 20 (%) | |
| 6 | 1 | drop | sodium citrate | 10 (mM) | pH8. |
| 7 | 1 | reservoir | PEG5000 MME | 24 (%) | |
| 8 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 9 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
