3QBW
Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to adenosine diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 63 |
Unit cell lengths | 90.218, 90.218, 174.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.710 - 2.230 |
R-factor | 0.18884 |
Rwork | 0.188 |
R-free | 0.21034 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cqy |
RMSD bond length | 0.009 |
RMSD bond angle | 1.173 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.710 | 2.350 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.082 | 0.397 |
Number of reflections | 39204 | |
<I/σ(I)> | 16.7 | 4.6 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 8.6 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 296 | 25% PEG 4000, 0.2 M (NH4)2SO4, 0.1 M tri-Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |