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 |