1P3T
Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 119 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.245, 63.245, 102.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
Rwork | 0.254 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j77 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.374 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.051 | 0.611 |
Total number of observations | 226194 * | |
Number of reflections | 31166 * | |
<I/σ(I)> | 38.5 | 2.37 |
Completeness [%] | 96.7 * | 97.8 |
Redundancy | 9.5 | 4.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8.5 | 298 | tris-HCl, sodium acetate, PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
2 | 1 | reservoir | sodium acetate | 0.2 (M) | |
3 | 1 | reservoir | PEG3350 | 32.5 (%) | |
4 | 1 | drop | protein | 23 (mg/ml) |