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 |