23JW
Crystal structure of human cytosolic NADP(+)-dependent malic enzyme in a ternary complex with NADP+ and Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-01-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.710, 181.880, 108.800 |
| Unit cell angles | 90.00, 105.33, 90.00 |
Refinement procedure
| Resolution | 27.020 - 2.310 |
| R-factor | 0.1785 |
| Rwork | 0.175 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.679 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.020 | 2.370 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.061 | 1.591 |
| Number of reflections | 109754 | 109754 |
| <I/σ(I)> | 20.3 | 1.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.4 | 10.7 |
| CC(1/2) | 1.000 | 0.691 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289.15 | 100 mM Hepes (pH 7.5), 10% w/v Polyethyleneglycol 3350 and 150 mM L-proline |
