4P7Q
Structure of Escherichia coli PgaB C-terminal domain in complex with N-acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-05 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.380, 77.958, 115.276 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.234 - 1.651 |
| R-factor | 0.1585 |
| Rwork | 0.157 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p7l |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.025 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1615)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.077 | 0.592 |
| Number of reflections | 46798 | |
| <I/σ(I)> | 64.8 | 5.2 |
| Completeness [%] | 99.5 | 98.5 |
| Redundancy | 14.1 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18% PEG3350, 0.1 M Bis-Tris, 0.5 M N-acetylglucosamine |
