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 |