5HMS
X-ray structure of human recombinant 5-aminolaevulinic acid dehydratase (hrALAD).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 127.079, 127.079, 91.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.200 - 2.800 |
R-factor | 0.17708 |
Rwork | 0.172 |
R-free | 0.26517 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e51 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.556 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.200 | 3.000 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.134 | 0.393 |
Number of reflections | 18874 | |
<I/σ(I)> | 11.1 | 5.3 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 9.2 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 0.1 M MES pH 6.2 - 6.5, 1 - 1.6 M ammonium sulphate, 10 mM dithiothreitol, 100 microM zinc chloride, 0 - 10 % dioxane. |