3PCT
Structure of the class C acid phosphatase from Pasteurella multocida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2007-08-01 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.980, 106.150, 89.750 |
| Unit cell angles | 90.00, 93.11, 90.00 |
Refinement procedure
| Resolution | 26.616 - 1.850 |
| R-factor | 0.2145 |
| Rwork | 0.212 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3et4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.939 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.616 | 27.517 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
| Rmerge | 0.094 | 0.065 | 0.272 |
| Total number of observations | 7519 | 19889 | |
| Number of reflections | 62294 | ||
| <I/σ(I)> | 10.4 | 8 | 2.4 |
| Completeness [%] | 97.8 | 99 | 86.7 |
| Redundancy | 3.5 | 3.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 20% (w/v) PEG 3350, 0.2 M ammonium citrate, and 10% (v/v) n-propanol, pH 7, temperature 293K |
