2HIB
human formylglycine generating enzyme, C336S mutant, iodide co-crystallization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5419 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.890, 109.110, 43.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.830 - 2.000 |
R-factor | 0.17492 |
Rwork | 0.172 |
R-free | 0.23785 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aij |
RMSD bond length | 0.011 |
RMSD bond angle | 1.264 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.132 | 0.413 |
Number of reflections | 72271 | |
<I/σ(I)> | 9 | 1.9 |
Completeness [%] | 96.8 | |
Redundancy | 3.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 4000, Calcium iodide, TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |