2DFN
Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and shikimate at 1.9 angstrons of resolution
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 | IMAGE PLATE |
| Collection date | 2005-06-07 |
| Detector | RIGAKU |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.296, 63.296, 91.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.160 - 1.930 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.26687 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1we2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.010 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.160 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 16017 | |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 99.0 | 21.6 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0.1M tris-HCl, 17% PEG 1500, 0.5-0.7M LiCl, pH 8.0, VAPOR DIFFUSION, temperature 293K |
