6AGS
Structural insights for non-natural cofactor binding by the L310R/Q401C mutant of malic enzyme from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.570, 80.570, 209.966 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.320 - 2.310 |
| R-factor | 0.19973 |
| Rwork | 0.197 |
| R-free | 0.24389 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aw5 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.574 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.344 | |
| Number of reflections | 47534 | |
| <I/σ(I)> | 26.1 | 1.6 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 13.4 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 297 | 0.7 M Lithium chloride,0.1 M Citric acid pH 4.6, 7% PEG 6000 |
