6T77
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.723, 118.842, 119.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.880 - 1.750 |
| R-factor | 0.1596 |
| Rwork | 0.158 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q7b |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.853 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.880 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.034 | 0.380 |
| Rpim | 0.026 | 0.297 |
| Number of reflections | 47966 | 2647 |
| <I/σ(I)> | 15 | 2 |
| Completeness [%] | 96.8 | 99.3 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.998 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 297 | 9.5 mg/ml protein solution mixed with NADP+ at 11.5 mM concentration Well solution: 0.1 M phosphate-citrate 4.2 pH 40 %v/v PEG 300 |
