7CIE
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER TURBO X-RAY SOURCE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2016-04-05 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.118, 50.153, 73.305 |
| Unit cell angles | 74.86, 78.03, 63.24 |
Refinement procedure
| Resolution | 20.530 - 2.150 |
| R-factor | 0.23496 |
| Rwork | 0.232 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.710 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.370 | 2.250 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.130 | 0.480 |
| Number of reflections | 32701 | 4215 |
| <I/σ(I)> | 6.67 | 1.77 |
| Completeness [%] | 98.2 | 99.8 |
| Redundancy | 3.24 | 3.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | PACT Premier HT-96 F5 (20% PEG3350; 0.2M Sodium Nitrate; 0.1M Bis-Tris Propane pH 6.5) |
