4OX2
I45T cytosolic phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-04-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.924, 119.252, 87.397 |
| Unit cell angles | 90.00, 106.92, 90.00 |
Refinement procedure
| Resolution | 29.130 - 2.000 |
| R-factor | 0.1911 |
| Rwork | 0.189 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dt7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.295 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.112 |
| Total number of observations | 525945 |
| Number of reflections | 80162 |
| <I/σ(I)> | 10.2 |
| Completeness [%] | 98.4 |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | PEG 3350, HEPES pH 7.4, MnCl2, GTP |
