9RFP
Peptidedeformylase XisD in complex with formiate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.870, 36.800, 74.440 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.650 |
| R-factor | 0.20333 |
| Rwork | 0.201 |
| R-free | 0.23783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.205 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.068 | 0.651 |
| Number of reflections | 43076 | 6954 |
| <I/σ(I)> | 9.1 | 1.7 |
| Completeness [%] | 97.6 | 98 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 100 mM MES, 25% PEG 550 MME, 10 mM Zn2(SO4) |
