5EQT
crystal structure of the ATPase domain of PAN from Pyrococcus horikoshii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.344, 46.488, 56.428 |
Unit cell angles | 90.00, 115.18, 90.00 |
Refinement procedure
Resolution | 47.948 - 1.943 |
R-factor | 0.2237 |
Rwork | 0.223 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h4m chain A |
RMSD bond length | 0.017 |
RMSD bond angle | 1.621 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.946 | 47.946 | 2.050 |
High resolution limit [Å] | 1.943 | 6.150 | 1.940 |
Rmerge | 0.046 | 1.248 | |
Rmeas | 0.081 | ||
Rpim | 0.031 | 0.020 | 0.576 |
Total number of observations | 132669 | 4315 | 17090 |
Number of reflections | 19463 | ||
<I/σ(I)> | 9.7 | 28.9 | 1.1 |
Completeness [%] | 97.7 | 99.8 | 93.1 |
Redundancy | 6.8 | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | NaCH3COO 0.1 M pH 5.5, NH4PO4 0.6 M |