2QDY
Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.99 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.064, 60.068, 81.761 |
Unit cell angles | 90.00, 125.15, 90.00 |
Refinement procedure
Resolution | 35.300 - 1.300 |
R-factor | 0.131 |
Rwork | 0.129 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ahj |
RMSD bond length | 0.017 |
RMSD bond angle | 1.710 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.300 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.061 | 0.391 |
Number of reflections | 110580 | |
<I/σ(I)> | 13.9 | 2.39 |
Completeness [%] | 99.7 | 97.6 |
Redundancy | 4.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 23% PEG 8000, 0.3M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |