4J5F
Crystal Structure of B. thuringiensis AiiA mutant F107W
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) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.602, 55.996, 81.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.227 - 1.720 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.544 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.720 | 3.710 | 1.720 |
| Rmerge | 0.070 | 0.042 | 0.507 |
| Number of reflections | 25093 | ||
| <I/σ(I)> | 12 | ||
| Completeness [%] | 92.7 | 99.2 | 63.2 |
| Redundancy | 6.1 | 6.7 | 4 |
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 |
