3QUG
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 49.203, 70.120, 75.422 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.2155 |
Rwork | 0.214 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z6f |
RMSD bond length | 0.018 |
RMSD bond angle | 2.023 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.350 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.089 | 0.043 | 0.510 |
Number of reflections | 28690 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 97.8 | 99.6 | 83.8 |
Redundancy | 6.7 | 6.8 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | PEG-MME 2000 (25-29%), Sodium Acetate/Acetic Acid 0.1M, Ammonium Sulfate 0.2M, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |