5C0U
Crystal structure of the copper-bound form of MerB mutant D99S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.376 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.903, 88.958, 52.005 |
Unit cell angles | 90.00, 100.64, 90.00 |
Refinement procedure
Resolution | 31.071 - 1.870 |
R-factor | 0.1507 |
Rwork | 0.147 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0o |
RMSD bond length | 0.009 |
RMSD bond angle | 1.233 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
High resolution limit [Å] | 1.870 | 5.070 | 1.870 |
Rmerge | 0.052 | 0.038 | 0.143 |
Rmeas | 0.061 | 0.045 | 0.170 |
Rpim | 0.032 | 0.023 | 0.091 |
Total number of observations | 86858 | ||
Number of reflections | 25316 | ||
<I/σ(I)> | 12.5 | ||
Completeness [%] | 90.4 | 93 | 74.3 |
Redundancy | 3.4 | 3.5 | 3.3 |
CC(1/2) | 0.997 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 23 % polyethylene glycol 2000 MME, 0.2 M sodium acetate pH 5.5, 0.2 M potassium bromide. Before flash freezing, the same precipitant was used except 25 % polyethylene glycol 2000 MME was used as a cryo-protectant. |