7KZ3
Crystal structure of KabA from Bacillus cereus UW85 in complex with the internal aldimine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.814 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.460, 66.680, 111.830 |
| Unit cell angles | 81.08, 77.41, 88.05 |
Refinement procedure
| Resolution | 46.244 - 1.550 |
| R-factor | 0.1512 |
| Rwork | 0.150 |
| R-free | 0.18090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k2b |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.690 |
| Data reduction software | AutoProcess |
| Data scaling software | AutoProcess |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_2398) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.244 | 1.605 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.030 | 0.287 |
| Rmeas | 0.041 | |
| Rpim | 0.027 | 0.261 |
| Number of reflections | 251426 | 25082 |
| <I/σ(I)> | 16.29 | 2.87 |
| Completeness [%] | 93.6 | 93.68 |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.999 | 0.845 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | PEG 4000, Sodium Chloride |
