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) |