4OJH
The crystal structure of truncated, Y86E mutant of S. solfataricus acylphosphatase
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 | 2013-12-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.680, 45.190, 44.120 |
| Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
| Resolution | 31.540 - 1.600 |
| R-factor | 0.1956 |
| Rwork | 0.191 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oj3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.399 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.540 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.079 | |
| Number of reflections | 21048 | |
| <I/σ(I)> | 10.1 | 2.7 |
| Completeness [%] | 96.8 | 80.5 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 0.2M ammonium sulfate, 30% PEG 8000, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
