6L2F
Crystal structure of a cupin protein (tm1459, H54AH58A mutant) in copper (Cu) substituted form
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 | 2016-09-20 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.635, 57.797, 74.402 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.230 |
R-factor | 0.146 |
Rwork | 0.146 |
R-free | 0.18810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wsd |
RMSD bond length | 0.007 |
RMSD bond angle | 0.023 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELX (2017/01) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.250 |
High resolution limit [Å] | 1.230 | 1.230 |
Rmerge | 0.076 | 0.971 |
Rmeas | 0.081 | 0.032 |
Rpim | 0.030 | 0.012 |
Total number of observations | 462320 | |
Number of reflections | 63984 | 3435 |
<I/σ(I)> | 29.4 | 3.27 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.2 | 7.1 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 25%(w/v) Jeffamine ED-2001, 0.1M MES |