1JPZ
Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-08-31 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.190, 148.356, 64.134 |
Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.650 |
R-factor | 0.177 * |
Rwork | 0.177 |
R-free | 0.19300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1fag |
RMSD bond length | 0.010 |
RMSD bond angle | 21.300 * |
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 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.031 | 0.284 |
Number of reflections | 218743 | |
<I/σ(I)> | 23.1 | 1.9 |
Completeness [%] | 84.3 | 38.3 |
Redundancy | 2.2 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 4 * | 6% PEG 3350, 25 mM potassium phosphate, 50 mM magnesium chloride, 50 mM Morpholinoethanesulfonic acid pH 6.0, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG3350 | 12 (%(w/v)) | |
2 | 1 | reservoir | 150 (mM) | ||
3 | 1 | reservoir | MES | 100 (mM) | |
4 | 1 | drop | protein | 12.5 (mg/ml) |