6GVS
Engineered glycolyl-CoA reductase comprising 8 mutations with bound NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 362.202, 123.183, 165.096 |
| Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
| Resolution | 39.133 - 2.579 |
| R-factor | 0.1916 |
| Rwork | 0.192 |
| R-free | 0.20980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jfl |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX (1.13_2998) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.133 | 39.133 | 2.720 |
| High resolution limit [Å] | 2.579 | 8.160 | 2.580 |
| Rmerge | 0.059 | 0.969 | |
| Rmeas | 0.150 | 0.069 | 1.116 |
| Rpim | 0.074 | 0.035 | 0.548 |
| Total number of observations | 853804 | 24453 | 123635 |
| Number of reflections | 212592 | 6805 | 30472 |
| <I/σ(I)> | 7.6 | 21.1 | 1.5 |
| Completeness [%] | 98.8 | 96.9 | 97.4 |
| Redundancy | 4 | 3.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 288 | Enzyme (6.5 mg/mL) was mixed with 0.2 M potassium citrate/KOH pH 8.4, 20% (w/v) PEG 3350, and supplemented with NADP+ from a 30 mM stock in a ratio of 2:2:1 (enzyme: crystallization buffer: substrate). The final drop volume was 5 micro liters. |
