5CKR
Crystal Structure of MraY in complex with Muraymycin D2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.480, 102.050, 135.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.025 - 2.950 |
| R-factor | 0.2477 |
| Rwork | 0.247 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j72 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.139 |
| Data reduction software | MOSFLM (0.6.1) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.900 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.270 | 1.500 |
| Number of reflections | 14178 | |
| <I/σ(I)> | 4.6 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 290 | 50 mM MgCl2, 40% PEG400, and 100 mM sodium cacodylate pH 5.6 |
