1NJ4
Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 1.9 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 |
| Unit cell lengths | 50.200, 50.200, 135.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.209 * |
| Rwork | 0.207 |
| R-free | 0.24400 * |
| Structure solution method | Refinement from a lower resolution structure |
| Starting model (for MR) | 1hd8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.210 * |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.600 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.358 * |
| Total number of observations | 178730 * | |
| Number of reflections | 29772 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 98.7 | 88.4 |
| Redundancy | 6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | 20% PEG 4000, 100 mM Tris 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 | 5.5 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | pH7.5 |
| 3 | 1 | drop | 30 (mM) | ||
| 4 | 1 | drop | beta-mercaptoethanol | 3 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 20 (%) | |
| 6 | 1 | reservoir | Tris | 50 (mM) | pH7.0 |
