6N63
Crystal structure of an Iron binding protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 81.390, 81.390, 65.861 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.700 - 1.720 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.020 |
RMSD bond angle | 1.360 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | Arcimboldo |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.000 | 1.780 |
High resolution limit [Å] | 1.719 | 1.720 |
Rpim | 0.026 | 0.504 |
Number of reflections | 24131 | 2353 |
<I/σ(I)> | 29 | 1 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 9.1 | 8.1 |
CC(1/2) | 0.982 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10% v/v Pentaerythritol ethoxylate (3/4 EO/OH) and 10% butanol |