2HF8
Crystal structure of HypB from Methanocaldococcus jannaschii in the triphosphate form, in complex with zinc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.120, 68.130, 155.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.100 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24200 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.090 |
Data scaling software | XSCALE |
Phasing software | SOLVE (2.06) |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.048 | 0.084 |
Number of reflections | 51141 | |
<I/σ(I)> | 20.54 | 9.3 |
Completeness [%] | 98.6 | 93.1 |
Redundancy | 3.76 | 1.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 175 mM maleic acid disodium salt, 52.5 mM HCl, 14% PEG3350, VAPOR DIFFUSION, temperature 293K |