1BS8
PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM IN COMPLEX WITH TRIPEPTIDE MET-ALA-SER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-18 |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-04-15 |
| Detector | SIEMENS-NICOLET X100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.100, 64.200, 84.700 |
| Unit cell angles | 90.00, 123.30, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.200 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1icj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.304 |
| Total number of observations | 117576 * | |
| Number of reflections | 32674 | |
| <I/σ(I)> | 11.98 | 2 |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 | Groche, D., (1998) Biochem.Biophys.Res.Comm., 246, 342. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2 (M) | |
| 2 | 1 | reservoir | MOPS-NH3 | 0.2 (M) | |
| 3 | 1 | reservoir | TCEP | 10 (mM) | |
| 4 | 1 | drop | 30 (mg/ml) | ||
| 5 | 1 | drop | formyl-Met-Ala-Ser | 20 (mM) | |
| 6 | 1 | drop | ammonium formate | 500 (mM) | |
| 7 | 1 | drop | 100 (mM) |
