6RO3
2Yr-X: Lysozyme with Re Cluster 2 year on shelf
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-17 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.940, 79.940, 36.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.970 - 1.030 |
R-factor | 0.1115 |
Rwork | 0.111 |
R-free | 0.11780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.764 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.970 | 1.067 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmerge | 0.090 | 0.165 |
Number of reflections | 55335 | 3732 |
<I/σ(I)> | 38.7 | 3.3 |
Completeness [%] | 94.0 | 64.31 |
Redundancy | 11.9 | 10.4 |
CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 298 | Standard hen egg white lysozyme (20 mg) crystallisation conditions were used of 10% NaCl, NaOAc 0.04 M (pH 4.7) and the fac-[Et4N]2[Re(CO)3(Br)3] at 0.03 M in 1.4 ml water, in sitting drop conditions, initially included with DMSO (at 7.5 % v/v). |