6LPE
Phascolosoma esculenta ferritin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 232.760, 232.760, 232.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.180 - 1.990 |
R-factor | 0.252 |
Rwork | 0.249 |
R-free | 0.30160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ajo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.541 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 164.590 | 2.030 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 79720 | 3603 |
<I/σ(I)> | 21.6 | |
Completeness [%] | 99.5 | |
Redundancy | 2 | |
CC(1/2) | 0.993 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | 0.1 M MES monohydrate pH 6.5, 1.6 M magnesium sulfate heptahydrate |