6BXL
Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.035, 80.904, 161.058 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.544 - 2.301 |
R-factor | 0.1912 |
Rwork | 0.188 |
R-free | 0.24910 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3lzc |
RMSD bond length | 0.007 |
RMSD bond angle | 0.831 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
High resolution limit [Å] | 2.300 | 5.670 | 2.300 |
Rmerge | 0.055 | 0.025 | 0.361 |
Number of reflections | 33136 | 2353 | 1946 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 97.8 | 95.4 | 88.1 |
Redundancy | 4 | 3.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 31-35% (v/v) PEG 400, either 0.1 M sodium citrate buffer pH 5.5 or MES buffer pH 6.5, 0.2 M Li2SO4 and 2% (v/v) ethylene glycol |