1MZR
Structure of dkga from E.coli at 2.13 A resolution solved by molecular replacement
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 139.177, 145.697, 79.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.160* |
| R-factor | 0.172 * |
| Rwork | 0.175 |
| R-free | 0.22100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a80 |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.700 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.200 |
| High resolution limit [Å] | 2.160 * | 2.130 |
| Rmerge | 0.075 | 0.820 * |
| Number of reflections | 39423 * | 3932 * |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 96.7 | 96.7 * |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8 * | 293 | potassium phosphate, sodium phosphate, hepes, glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10.2 (mg/ml) | |
| 2 | 1 | drop | MOPS | 20 (mM) | pH8.0 |
| 3 | 1 | drop | betaine | 1 (mM) | |
| 4 | 1 | reservoir | sodium potassium phosphate | 2 (M) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.0 |
| 6 | 1 | reservoir | glycerol | 2.5 (%) |
