4MGF
Crystal structure of apo-PhuS, a heme-binding protein from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | I 4 |
| Unit cell lengths | 186.500, 186.500, 41.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.703 - 2.000 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.159 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (MR) |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 48884 | |
| Completeness [%] | 99.0 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | 0.3 M sodium acetate, 0.1 M Tris, 30% PEG 4000, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
