4RFR
Complex structure of AlkB/rhein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9735 |
Spacegroup name | P 1 |
Unit cell lengths | 36.950, 39.200, 40.521 |
Unit cell angles | 77.37, 74.67, 65.47 |
Refinement procedure
Resolution | 30.000 - 1.500 |
R-factor | 0.11919 |
Rwork | 0.118 |
R-free | 0.15021 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.176 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 30221 | |
Completeness [%] | 95.5 | 94.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 0.2 M ammonium sulfate, 0.1 M HEPES, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |