4F32
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase II from Burkholderia vietnamiensis in complex with platencin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-03 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.490, 100.840, 143.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.1391 |
Rwork | 0.137 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.582 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 | |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.095 | 0.045 | 0.334 |
Number of reflections | 63570 | 822 | 4373 |
<I/σ(I)> | 27.11 | 56.99 | 5.69 |
Completeness [%] | 98.9 | 98.9 | 92.8 |
Redundancy | 17.4 | 18.8 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | MD Morpheus a2: 10% PEG 8000, 20% Ethylene glycol, 30mM MgCl2, 30mM CaCl2, 100mM MES/Imidazole 6.5, BuviA.00113.b.A1 PS01317 at 20mg/ml with 1mM Platencin, VAPOR DIFFUSION, SITTING DROP, temperature 290K |