1PYY
Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.99987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.224, 64.746, 146.974 |
| Unit cell angles | 90.00, 118.89, 90.00 |
Refinement procedure
| Resolution | 31.000 * - 2.420 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qme |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.430 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 2.550 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.048 | 0.198 |
| Total number of observations | 299369 * | |
| Number of reflections | 40275 | |
| <I/σ(I)> | 29.7 | 3.5 |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 7.4 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 281 | 12% PEG 6000, 100 mM sodium acetate, 200 mM ammonium sulfate, glycyl-glycyl-glycine, n-octanoylsucrose, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 50 (mM) | pH8.0 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | protein | 12 (mg/ml) | |
| 5 | 1 | reservoir | PEG6000 | 14 (%) | |
| 6 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |
| 7 | 1 | reservoir | ammonium sulfate | 200 (mM) |
