4NU0
Crystal structure of Adenylate kinase from Streptococcus pneumoniae with Ap5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.202, 48.338, 52.574 |
| Unit cell angles | 75.30, 72.95, 88.77 |
Refinement procedure
| Resolution | 37.418 - 1.485 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ntz |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.940 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.061 | 0.340 |
| Number of reflections | 54770 | |
| <I/σ(I)> | 5.97 | |
| Completeness [%] | 93.1 | 87.46 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.1M sodium acetate, 0.1M sodium acetate pH 4.6, 30% PEG 8K, 50mM NaF, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
