6CAX
Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT805
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-07 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 35.760, 47.470, 48.230 |
Unit cell angles | 111.26, 109.17, 98.00 |
Refinement procedure
Resolution | 40.986 - 1.250 |
R-factor | 0.1599 |
Rwork | 0.160 |
R-free | 0.17140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5upg |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.986 | 40.986 | 1.280 |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.073 | 0.038 | 0.480 |
Rmeas | 0.092 | 0.048 | 0.606 |
Number of reflections | 69777 | 804 | 5023 |
<I/σ(I)> | 8.59 | 22.2 | 2.18 |
Completeness [%] | 94.1 | 95.5 | 91.4 |
Redundancy | 2.645 | 2.562 | 2.657 |
CC(1/2) | 0.996 | 0.995 | 0.726 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 290 | 100mM HEPES HCl, pH 7.2, 50mM CaCl2, 4% (w/v) Propanol, 26% (w/v) PEG 3350, PsaeA.00166.a.DG15.PD00442 at 5mg/ml + 1mM ZnCl2 + 1mM BSI 108454, cryo: 20% EG: Cryo = 20%EG: tray 296748 B11 |