4IMA
The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.751, 204.727, 86.532 |
| Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
| Resolution | 38.891 - 1.954 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vgb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.047 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 200629 | |
| <I/σ(I)> | 14.9 | 1.4 |
| Completeness [%] | 97.7 | 86.1 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.9 | 277 | 5% PEG6000, 0.05 M potassium citrate, 2.64 uM manganese chloride, pH 4.9, EVAPORATION, temperature 277K |
