3ZTR
Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FIRST STAGE OF RADIATION DAMAGE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-22 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 200.710, 200.710, 246.731 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.444 - 2.300 |
R-factor | 0.1929 |
Rwork | 0.192 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zto |
RMSD bond length | 0.012 |
RMSD bond angle | 1.214 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.440 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.140 | 0.350 |
Number of reflections | 221854 | |
<I/σ(I)> | 8 | 3.6 |
Completeness [%] | 92.0 | 93.4 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25% PEG 3350, 0.2 M NACL, 0.1 M BIS-TRIS PH 5.5. |