2QD1
2.2 Angstrom Structure of the human ferrochelatase variant E343K with substrate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2006-10-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 61.893, 88.454, 93.100 |
Unit cell angles | 102.49, 108.99, 105.55 |
Refinement procedure
Resolution | 42.080 - 2.200 |
R-factor | 0.222 |
Rwork | 0.222 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.081 | 0.270 |
Number of reflections | 82197 | |
<I/σ(I)> | 18 | 3.6 |
Completeness [%] | 95.4 | 88 |
Redundancy | 2.2 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.05 M ammonium acetate, 0.05M Bis-Tris, pH 6.5 and 40% (v/v) pentaerythritol ethoxylate (15/4 EO/OH), VAPOR DIFFUSION, HANGING DROP, temperature 291K |