4GBD
Crystal Structure Of Adenosine Deaminase From Pseudomonas Aeruginosa Pao1 with bound Zn and methylthio-coformycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.814, 120.310, 77.298 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 31.100 - 1.975 |
| R-factor | 0.1919 |
| Rwork | 0.190 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.655 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 1.975 | 4.310 | 1.975 |
| Rmerge | 0.090 | 0.059 | 0.656 |
| Number of reflections | 70251 | ||
| <I/σ(I)> | 13.3 | ||
| Completeness [%] | 97.6 | 93.5 | 98.3 |
| Redundancy | 3.7 | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 1.26M sodium phosphate (monobasic)/0.14M potassium phosphate (dibasic), pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
