2Z6F
Crystal structure of NEAT domain from Staphylococcus aureus in complex with heme
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 | 2007-03-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 49.217, 75.686, 39.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.620 - 1.900 |
| R-factor | 0.19747 |
| Rwork | 0.193 |
| R-free | 0.24175 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e7d |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.750 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 11976 | |
| Completeness [%] | 98.6 | 90.5 |
| Redundancy | 6.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 100mM CAPS, 20% polyethylene glycol 8000, 200mM NaCl, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
