4FAS
Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97948 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 140.731, 142.618, 107.376 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.890 - 2.100 |
R-factor | 0.16701 |
Rwork | 0.165 |
R-free | 0.20583 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Monomer of PDB ID: 1FGJ |
RMSD bond length | 0.023 |
RMSD bond angle | 2.102 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.127 | 0.574 |
Number of reflections | 109103 | |
<I/σ(I)> | 9.554 | 2.036 |
Completeness [%] | 86.7 | 69.3 |
Redundancy | 4.6 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 292 | 0.1 M potassium nitrate, 0.1 M MES pH 7.5 and 46%(v/v) PEG 400, VAPOR DIFFUSION, temperature 292K |