4OFL
Crystal structure of YntA from Yersinia pestis in complex with Ni(L-His)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | PIXEL |
| Collection date | 2012-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.040, 213.830, 52.870 |
| Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
| Resolution | 46.451 - 2.700 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ry3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.783 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.451 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 26613 | |
| <I/σ(I)> | 10.54 | 2.14 |
| Completeness [%] | 95.4 | 94.7 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 29 % PEG 10K , 50 mM Tris pH 8.5, 1 M NaCl + NiCl2 + L-His, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
