2AIJ
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide CTPSR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-04-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.640, 109.592, 43.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.500 - 1.550 |
| R-factor | 0.14601 |
| Rwork | 0.144 |
| R-free | 0.17777 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y1e |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.408 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0009) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 42603 | |
| <I/σ(I)> | 41.2 | 5.6 |
| Completeness [%] | 97.5 | 89.3 |
| Redundancy | 4.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 4000, Calcium chloride, TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
