3BAF
Crystal structure of shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.297, 67.297, 97.692 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.420 - 2.250 |
| R-factor | 0.21009 |
| Rwork | 0.207 |
| R-free | 0.28397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyu |
| RMSD bond length | 0.039 |
| RMSD bond angle | 3.034 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.420 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.190 | 0.190 |
| Number of reflections | 12600 | |
| <I/σ(I)> | 25.8 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | PEG, pH8, VAPOR DIFFUSION, temperature 293K |
