1NZU
Wild-type penicillin-binding protein 5 from E. coli modified by beta-mercaptoethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 |
| Unit cell lengths | 50.220, 50.220, 138.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 * - 2.000 |
| R-factor | 0.2241 |
| Rwork | 0.219 |
| R-free | 0.26600 * |
| Starting model (for MR) | 1hd8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.330 * |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.500 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.308 |
| Total number of observations | 74362 * | |
| Number of reflections | 26382 | |
| <I/σ(I)> | 6.1 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 18 * | 24% PEG 4000, 100 mM magnesium acetate, 100 mM sodium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8.4 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | drop | 0.15 (M) | ||
| 4 | 1 | drop | 2-ME | 10 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 24 (%) | |
| 6 | 1 | reservoir | sodium citrate | 50 (mM) | pH5.5 |
| 7 | 1 | reservoir | magnesium acetate | 100 (mM) | |
| 8 | 1 | reservoir | glycerol | 2-25 (%) |
