4IQD
Crystal Structure of Carboxyvinyl-Carboxyphosphonate Phosphorylmutase from Bacillus anthracis
Replaces: 3IH1Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 105.543, 105.543, 114.684 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.574 - 2.000 |
| R-factor | 0.148 |
| Rwork | 0.142 |
| R-free | 0.18800 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.803 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 50248 | |
| <I/σ(I)> | 9.6 | 3.15 |
| Completeness [%] | 99.8 | 97.2 |
| Redundancy | 11.7 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2 M ammonium citrate tribasic pH 7.0, 20 PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
