2HF9
Crystal structure of HypB from Methanocaldococcus jannaschii in the triphosphate form
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 | 2005-02-08 |
Detector | ADSC |
Wavelength(s) | 0.9758 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.463, 68.107, 155.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 1.900 |
Rwork | 0.217 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 2Hf8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.104 |
Data reduction software | XDS |
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 | 6.5 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 150 mM maleic acid disodium salt, 42.5 mM HCl, 20% PEG3350, VAPOR DIFFUSION, temperature 293K |