1XDB
Crystal Structure of the Nitrogenase Fe protein Asp129Glu
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-02-24 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.574, 92.138, 63.934 |
Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
R-factor | 0.231 |
Rwork | 0.227 |
R-free | 0.29900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D39N model |
RMSD bond length | 0.015 |
RMSD bond angle | 2.961 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.090 | 0.386 |
Number of reflections | 16266 | |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 90.6 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 8.5 | 298 | PEG4000, Tris HCl, sodium acetate, pH 8.5, SMALL TUBES, temperature 298K |