4KAL
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.181, 81.219, 82.950 |
| Unit cell angles | 90.00, 98.17, 90.00 |
Refinement procedure
| Resolution | 40.120 - 1.500 |
| R-factor | 0.16012 |
| Rwork | 0.159 |
| R-free | 0.18974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e3a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.161 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.520 |
| High resolution limit [Å] | 1.490 | 4.040 | 1.490 |
| Rmerge | 0.073 | 0.044 | 0.556 |
| Number of reflections | 100585 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 91.6 | 96.6 | 58.2 |
| Redundancy | 3 | 3.1 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M AMMONIUM ACETATE, 0.1M BIS:TRIS:HCL, PH 6.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
