6TLB
Plasmodium falciparum lipocalin (PF3D7_0925900)
Refinement Statistics
Experimental method: SOLUTION SCATTERING, X-RAY DIFFRACTION (2.85 Å)
| Cell axes | 63.993 | 92.250 | 214.502 |
| Cell angles | 90.00 | 98.35 | 90.00 |
| Spacegroup | I 1 2 1 | ||
| Resolution limits | 56.20 - 2.85 | ||
Crystallization Conditions
| crystal ID | method | pH | pH range | temperature | unit |
| 1 | VAPOR DIFFUSION | 7 | 292 |
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 | 2019-03-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 63.993, 92.250, 214.502 |
| Unit cell angles | 90.00, 98.35, 90.00 |
Refinement procedure
| Resolution | 56.200 - 2.850 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23647 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mbt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.539 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.200 | 2.952 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.199 | |
| Rmeas | 0.294 | |
| Number of reflections | 28936 | 2889 |
| <I/σ(I)> | 3.69 | 1.19 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 2 | |
| CC(1/2) | 0.546 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 292 | 0.2 M magnesium chloride, 0.1 M Tris pH7, 2.5 M Sodium Chloride |
