6EWM
Crystal structure of heme free PORPHYROMONAS GINGIVALIS HEME-BINDING PROTEIN HMUY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.334, 42.947, 95.075 |
| Unit cell angles | 90.00, 107.87, 90.00 |
Refinement procedure
| Resolution | 90.490 - 1.400 |
| R-factor | 0.13323 |
| Rwork | 0.131 |
| R-free | 0.17102 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h8t |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.558 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.900 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.014 | 0.520 |
| Rpim | 0.010 | 0.430 |
| Number of reflections | 86584 | 3231 |
| <I/σ(I)> | 5.9 | 2.5 |
| Completeness [%] | 100.0 | 74 |
| Redundancy | 4.3 | 3.5 |
| CC(1/2) | 0.980 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 2.4 M ammonium sulphate, 100 mM MES pH 5.0 |
