3D0F
Structure of the BIG_1156.2 domain of putative penicillin-binding protein MrcA from Nitrosomonas europaea ATCC 19718
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97959, 0.97970 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.206, 52.219, 56.860 |
| Unit cell angles | 90.00, 107.87, 90.00 |
Refinement procedure
| Resolution | 35.670 - 1.640 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.21700 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.641 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.347 |
| Number of reflections | 27910 | |
| <I/σ(I)> | 9.8 | 3.3 |
| Completeness [%] | 98.8 | 97.2 |
| Redundancy | 6.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M MES pH 6.5, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
