1EFK
STRUCTURE OF HUMAN MALIC ENZYME IN COMPLEX WITH KETOMALONATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-11 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 229.600, 118.600, 113.100 |
| Unit cell angles | 90.00, 109.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.30100 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | GLRF |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.076 | 0.215 |
| Number of reflections | 84646 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 96.0 | 73 |
| Redundancy | 2.5 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 4 * | 100 mM MES, 8% PEG20000, 5% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 10 | 1 | reservoir | MES | 100 (mM) | |
| 11 | 1 | reservoir | PEG20000 | 6-11 (%) | |
| 12 | 1 | reservoir | MPD | 5 (%(v/v)) | |
| 2 | 1 | drop | Tris-HCl | 30 (mM) | |
| 3 | 1 | drop | 80 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 4 (mM) | |
| 5 | 1 | drop | EDTA | 0.1 (mM) | |
| 6 | 1 | drop | NAD+ | 0.4-1.2 (mM) | |
| 7 | 1 | drop | 5-10 (mM) | ||
| 8 | 1 | drop | fumarate | 5 (mM) | |
| 9 | 1 | drop | ketomalonate | 5 (mM) |
