8KI1
Crystal structure of the holo form of the hemophore HasA from Pseudomonas protegens Pf-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 |
| Unit cell lengths | 99.597, 99.597, 90.473 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.235 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.240 | 45.240 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.317 | 0.074 | 4.823 |
| Rmeas | 0.324 | 0.076 | 4.936 |
| Rpim | 0.071 | 0.018 | 1.047 |
| Total number of observations | 835293 | 6226 | 56220 |
| Number of reflections | 40219 | 384 | 2570 |
| <I/σ(I)> | 11.7 | 33.1 | 1.7 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 20.8 | 16.2 | 21.9 |
| CC(1/2) | 0.998 | 0.998 | 0.584 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 100mM Sodium acetate/acetic acid (pH 4.5), 2.5M NaCl, 0.2M Lithium sulfate |
