1IQC
Crystal structure of Di-Heme Peroxidase from Nitrosomonas europaea
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.134, 55.111, 144.000 |
Unit cell angles | 90.00, 103.60, 90.00 |
Refinement procedure
Resolution | 50.000 * - 1.800 |
R-factor | 0.222 * |
Rwork | 0.222 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.370 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.031 | 0.130 * |
Total number of observations | 393924 * | |
Number of reflections | 119903 | |
<I/σ(I)> | 13 | 5.3 |
Completeness [%] | 96.0 | 89.1 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Pappa, H., (1996) J.STRUCT.BIOL., 116, 429. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.1 (mM) | |
2 | 1 | reservoir | PEG8000 | 12.5 (%) | |
3 | 1 | reservoir | 0.2 (M) | ||
4 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |