1GZ4
molecular mechanism of the regulation of human mitochondrial NAD(P)+-dependent malic enzyme by ATP and fumarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 100 |
| Collection date | 2000-06-15 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 224.944, 117.454, 111.610 |
| Unit cell angles | 90.00, 109.33, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.24200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1DO8_D |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.092 | 0.210 * |
| Total number of observations | 379495 * | |
| Number of reflections | 123880 | |
| <I/σ(I)> | 13.8 | 10 |
| Completeness [%] | 95.0 | 82 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 4 * | 10% PEG20K, PH6.0 MES, 5% MPD, pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 10 | 1 | reservoir | PEG20000 | 8-10 (%(w/v)) | |
| 11 | 1 | reservoir | MPD | 5 (%(v/v)) | |
| 2 | 1 | drop | Tris | 30 (mM) | pH7.4 |
| 3 | 1 | drop | 70 (mM) | ||
| 4 | 1 | drop | ATP | 10 (mM) | |
| 5 | 1 | drop | fumarate | 5 (mM) | |
| 6 | 1 | drop | 5 (mM) | ||
| 7 | 1 | drop | dithiothreitol | 2 (mM) | |
| 8 | 1 | drop | tartronate | 5 (mM) | or oxalate |
| 9 | 1 | reservoir | MES | 100 (mM) | pH6.0 |
