5X31
Pseudoazurin from Alcaligenes faecalis (space group P65)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-11 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9000 |
Spacegroup name | P 61 |
Unit cell lengths | 68.686, 68.686, 94.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.920 - 2.600 |
R-factor | 0.1964 |
Rwork | 0.194 |
R-free | 0.23886 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1paz |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.123 | 0.240 |
Rmeas | 0.145 | 0.279 |
Rpim | 0.076 | 0.141 |
Number of reflections | 8741 | 447 |
<I/σ(I)> | 13.4 | 6.1 |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 3.7 | 3.9 |
CC(1/2) | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 32.5-37.5% Polyethylene glycol 8000, 1.5 micro L of protein solution and 1.5 micro L reservoir |