4OJ3
The crystal structure of V84P mutant of S. solfataricus Acylphosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8729 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.190, 45.270, 41.470 |
| Unit cell angles | 90.00, 105.39, 90.00 |
Refinement procedure
| Resolution | 30.500 - 2.200 |
| R-factor | 0.21751 |
| Rwork | 0.215 |
| R-free | 0.25575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oix |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.144 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.480 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.153 | 0.573 |
| Number of reflections | 9635 | |
| <I/σ(I)> | 5 | 2.1 |
| Completeness [%] | 93.9 | 93.5 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2M ammonium sulphate, 25% PEG 4K, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
