2XOD
Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.540, 45.550, 56.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 0.960 |
| R-factor | 0.1241 |
| R-free | 0.15100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rlj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.036 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 0.980 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.040 | 0.600 |
| Number of reflections | 65488 | |
| <I/σ(I)> | 17.1 | 2.9 |
| Completeness [%] | 97.3 | 77.8 |
| Redundancy | 4.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 10% (V/V) 2-PROPANOL, 0.2 M ZN ACETATE, 0.1 M NA CACODYLATE BUFFER PH 6.5 |
