3ZTO
Orthorhombic crystal form C222 of the Aquifex aeolicus nucleoside diphosphate kinase
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 | C 2 2 2 |
Unit cell lengths | 43.130, 101.060, 62.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.763 - 1.470 |
R-factor | 0.1522 |
Rwork | 0.151 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nlk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.216 |
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] | 15.540 | 1.550 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.070 | 0.390 |
Number of reflections | 23200 | |
<I/σ(I)> | 9.4 | 2.4 |
Completeness [%] | 99.0 | 98.1 |
Redundancy | 3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25% PEG 3350, 0.2 M LISO4, 0.1 M BIS-TRIS PH 5.5. |