1XB6
The K24R mutant of Pseudomonas Aeruginosa Azurin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-10 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9960 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.180, 65.020, 88.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.990 - 1.823 |
R-factor | 0.1418 |
Rwork | 0.139 |
R-free | 0.18700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1azu |
RMSD bond length | 0.015 |
RMSD bond angle | 1.441 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.990 | 1.890 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.038 | 0.083 |
Number of reflections | 21395 | |
<I/σ(I)> | 32.9 | 17.1 |
Completeness [%] | 94.7 | 71 |
Redundancy | 8 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 20-23% PEG 3350, 0.25M MgCl2, 0.1M Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |