4I7E
Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A in Complex with PEP
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 | 2009-03-09 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.650, 112.960, 131.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.700 - 2.000 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u39 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.355 |
| Data reduction software | d*TREK (9.2SSI) |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.520 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.053 | 0.389 |
| Number of reflections | 94461 | |
| <I/σ(I)> | 13.3 | 2.7 |
| Completeness [%] | 97.0 | 78.2 |
| Redundancy | 3.61 | 2.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 289 | 0.1 M sodium citrate tribasic dehydrate pH 5.6, 20% v/v 2-propanol, 20% w/v polyethylene glycol 4,000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
