4J5H
Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.825, 55.444, 80.396 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.570 - 1.450 |
| R-factor | 0.1219 |
| Rwork | 0.120 |
| R-free | 0.15090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.520 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
| Rmerge | 0.055 | 0.028 | 0.542 |
| Number of reflections | 42336 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 95.9 | 99.7 | 71.9 |
| Redundancy | 6.7 | 7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, MgCl2, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
