3VTM
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 49.460, 71.010, 75.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.820 - 2.800 |
R-factor | 0.2298 |
Rwork | 0.227 |
R-free | 0.29230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qug |
RMSD bond length | 0.012 |
RMSD bond angle | 1.777 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.822 | 41.422 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.042 | 0.416 | |
Rmeas | 0.049 | 0.467 | |
Rpim | 0.024 | 0.208 | |
Total number of observations | 1009 | 4810 | |
Number of reflections | 6932 | ||
<I/σ(I)> | 8.1 | 15 | 3.8 |
Completeness [%] | 99.5 | 96.2 | 99.8 |
Redundancy | 4.7 | 4.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | PEG-MME 3500, Sodium Iodide 0.2M, Potassium iodide 0.2M, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |