5D5T
SeMet-labelled HcgC from Methanocaldococcus jannaschii in P1 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 45.480, 76.990, 84.990 |
Unit cell angles | 108.09, 89.98, 105.38 |
Refinement procedure
Resolution | 42.837 - 2.400 |
R-factor | 0.2074 |
Rwork | 0.205 |
R-free | 0.25110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d4t |
RMSD bond length | 0.004 |
RMSD bond angle | 0.840 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 | |
High resolution limit [Å] | 2.400 | 12.000 | 2.400 |
Rmerge | 0.094 | 0.047 | 0.415 |
Rmeas | 0.111 | 0.055 | 0.501 |
Total number of observations | 272312 | ||
Number of reflections | 78917 | 638 | 8910 |
<I/σ(I)> | 9.52 | 25.17 | 2.74 |
Completeness [%] | 95.8 | 96.4 | 94.3 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 281 | 22.5 % (w/v) PEP426, 90 mM HEPES-NaOH (pH 7.5), 45 mM magnesium chloride and 0.2 M 2,2,2-trifluoroethanol |