3DHZ
Apo (iron free) structure of C. ammoniagenes R2 protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-03 |
Detector | MARRESEARCH |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.908, 86.537, 70.610 |
Unit cell angles | 90.00, 105.48, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.630 |
R-factor | 0.168 |
Rwork | 0.165 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.760 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.204 | |
Number of reflections | 67077 | |
Completeness [%] | 94.7 | 86.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 30% w/v PEG 4000, 100 mM sodium citrate, 200 mM Ammonium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |