2Z6I
Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-03 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.90000, 0.97888, 0.97932 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.386, 126.895, 53.335 |
Unit cell angles | 90.00, 111.54, 90.00 |
Refinement procedure
Resolution | 29.140 - 1.700 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.23500 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.145 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.140 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.083 | 0.226 |
Number of reflections | 68157 | |
<I/σ(I)> | 8.8 | 4.3 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 4.3 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 8-15% PEG 1000, 8-15% MPD, 0.1M MES pH 5.5-7.0, 0.1M ammonium chloride, 0.2M calcium chloride, 5mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |