2DC3
Crystal structure of human cytoglobin at 1.68 angstroms resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45PX |
Synchrotron site | SPring-8 |
Beamline | BL45PX |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2004-07-02 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.530, 52.760, 83.440 |
Unit cell angles | 90.00, 87.75, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.680 |
R-factor | 0.142 |
Rwork | 0.140 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v5h |
RMSD bond length | 0.018 |
RMSD bond angle | 1.558 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 39043 | |
<I/σ(I)> | 20.92 | 4.03 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 4.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.4M sodium acetate, 100mM sodium cacodylate, 5mM KCN, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |