1Q3G
MurA (Asp305Ala) liganded with tetrahedral reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 139.459, 153.934, 167.481 |
| Unit cell angles | 90.00, 112.95, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.650 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a2n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.250 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.098 | 0.335 |
| Number of reflections | 809759 * | 26280 * |
| <I/σ(I)> | 9.6 | 2.3 |
| Completeness [%] | 98.9 * | 0.335 * |
| Redundancy | 4.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 19 * | PEG 20,000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 100 (mg/ml) | |
| 2 | 1 | reservoir | MES | 10 (mM) | pH6.4 |
| 3 | 1 | reservoir | PEG20000 | 10 (%(w/v)) | |
| 4 | 1 | reservoir | UNAG | 5 (mM) | |
| 5 | 1 | reservoir | PEP | 5 (mM) |
