4MDT
Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.973, 103.520, 103.968 |
| Unit cell angles | 90.00, 103.96, 90.00 |
Refinement procedure
| Resolution | 50.450 - 2.590 |
| R-factor | 0.1989 |
| Rwork | 0.197 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p3g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.280 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.730 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.044 | 0.424 |
| Number of reflections | 51839 | |
| <I/σ(I)> | 17.2 | 2.3 |
| Completeness [%] | 96.0 | 79.3 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 293 | 0.4 M sodium phosphate monobasic, 0.8 M potassium phosphate dibasic, 0.2 M CAPS, pH 10.5, 50 mM lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
