3HGW
Apo Structure of Pseudomonas aeruginosa Isochorismate-Pyruvate Lyase I87T mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 113.15 |
Detector technology | IMAGE PLATE |
Collection date | 2006-07-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.503, 74.919, 88.505 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.210 - 2.250 |
R-factor | 0.221 |
Rwork | 0.219 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h9d |
RMSD bond length | 0.008 |
RMSD bond angle | 1.023 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.330 |
High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
Rmerge | 0.100 | 0.045 | 0.354 |
Number of reflections | 17729 | ||
<I/σ(I)> | 14.686 | ||
Completeness [%] | 99.3 | 97.1 | 98.5 |
Redundancy | 7 | 6.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298.15 | 0.1M Bis-tris propane, pH 6.5, 0.14 M calcium chloride, 23% PEG 3350, and 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K |