3RJU
Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.161, 75.477, 59.068 |
| Unit cell angles | 90.00, 103.93, 90.00 |
Refinement procedure
| Resolution | 30.507 - 1.500 |
| R-factor | 0.14 |
| Rwork | 0.138 |
| R-free | 0.17000 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_725)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 57320 | |
| <I/σ(I)> | 12 | 2.1 |
| Completeness [%] | 96.6 | 69.3 |
| Redundancy | 4.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.04 M potassium phosphate, 16 % w/v PEG 8000, 20 % v/v Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
