7KZD
Crystal structure of KabA from Bacillus cereus UW85 in complex with the reduced internal aldimine and with bound Glutarate
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 | 2017-06-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.814 |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.940, 93.580, 106.890 |
| Unit cell angles | 108.84, 92.33, 90.08 |
Refinement procedure
| Resolution | 48.413 - 1.900 |
| R-factor | 0.2092 |
| Rwork | 0.207 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kz3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.898 |
| 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] | 48.413 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.091 | 0.641 |
| Number of reflections | 257845 | 25515 |
| <I/σ(I)> | 6.86 | 1.9 |
| Completeness [%] | 95.9 | 95.28 |
| Redundancy | 2.1 | |
| CC(1/2) | 0.994 | 0.716 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | PEG 4000, Sodium Chloride |
