5G3R
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-01 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.657, 74.629, 75.560 |
| Unit cell angles | 90.00, 110.94, 90.00 |
Refinement procedure
| Resolution | 47.804 - 2.180 |
| R-factor | 0.1966 |
| Rwork | 0.194 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | APO STRUCTURE OF NAGZ FROM PSEUDOMONAS AERUGINOSA |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.044 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 2.250 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.100 | 0.900 |
| Number of reflections | 36231 | |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 30% PEG 8000 100 MM SODIUM CACODYLATE PH 6.0 200 MM SODIUM ACETATE PH 6.0 |
