3MZ9
X-ray structure of NikA in complex with HBED
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Detector technology | CCD |
Collection date | 2008-09-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.083, 93.848, 124.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.930 - 1.800 |
R-factor | 0.18432 |
Rwork | 0.182 |
R-free | 0.21894 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zlq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.347 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.930 | |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 90975 | |
<I/σ(I)> | 23.31 | 4.19 |
Completeness [%] | 95.0 | 88 |
Redundancy | 5.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1.8M ammonium sulfate, 0.1M sodium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |