1S0A
Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.13 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.508, 55.659, 121.396 |
| Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.700* |
| R-factor | 0.18692 |
| Rwork | 0.186 |
| R-free | 0.20800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wild-type dimer |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.700 * | 1.710 |
| Rmerge | 0.096 * | 0.408 * |
| Total number of observations | 325020 * | |
| Number of reflections | 81351 * | |
| <I/σ(I)> | 11.5 | 2.6 |
| Completeness [%] | 97.2 | 90.7 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | PEG4000, MPD, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 26-28 (%) | |
| 2 | 1 | reservoir | MPD | 9-12 (%) | |
| 3 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
| 4 | 1 | drop | protein | 10 (mg/ml) |
