1R00
Crystal structure of aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-homocysteine (SAH)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.076 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 63.120, 92.130, 115.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.218 |
Rwork | 0.213 |
R-free | 0.28000 |
Structure solution method | fft |
Starting model (for MR) | 1qzz SAM-complex |
RMSD bond length | 0.011 |
RMSD bond angle | 1.395 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.108 * | 0.252 * |
Total number of observations | 96318 * | |
Number of reflections | 12651 | |
<I/σ(I)> | 10.4 | 5.6 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | PEG4000, ammonium acetate, sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
2 | 1 | reservoir | ammonium acetate | 0.1 (M) | |
3 | 1 | reservoir | sodium acetate | 0.2 (M) | pH5.0 |
4 | 1 | drop | protein | 2.2 (mg/ml) |