6KA1
E.coli Malate dehydrogenase
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 | 2018-03-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0401 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.935, 125.102, 85.756 |
| Unit cell angles | 90.00, 107.12, 90.00 |
Refinement procedure
| Resolution | 37.166 - 1.543 |
| R-factor | 0.1578 |
| Rwork | 0.157 |
| R-free | 0.18170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kka |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.14_3260:000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.570 |
| High resolution limit [Å] | 1.540 | 4.180 | 1.540 |
| Rmerge | 0.049 | 0.038 | 0.770 |
| Rmeas | 0.053 | 0.041 | 0.835 |
| Rpim | 0.020 | 0.016 | 0.318 |
| Total number of observations | 1038999 | ||
| Number of reflections | 158413 | 7780 | 7257 |
| <I/σ(I)> | 17 | ||
| Completeness [%] | 92.7 | 89.6 | 85.2 |
| Redundancy | 6.6 | 6.9 | 6.5 |
| CC(1/2) | 0.995 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | PEG3350 20%, DL-Malic acid 0.1M (pH 5.5) |
