4Y0A
Shikimate kinase from Acinetobacter baumannii in complex with shikimate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 81.980, 85.810, 112.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.020 - 1.911 |
| R-factor | 0.1936 |
| Rwork | 0.192 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kag |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.658 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.020 | 36.020 | 2.010 |
| High resolution limit [Å] | 1.911 | 6.040 | 1.910 |
| Rmerge | 0.059 | 0.436 | |
| Rmeas | 0.080 | ||
| Rpim | 0.032 | 0.028 | 0.190 |
| Total number of observations | 187575 | 5716 | 26644 |
| Number of reflections | 30525 | ||
| <I/σ(I)> | 12.9 | 23.4 | 3.3 |
| Completeness [%] | 98.2 | 96.4 | 96.9 |
| Redundancy | 6.1 | 5.5 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES, 1.5M Lithium sulfate |
