6QHY
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-05-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97627 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.730, 79.390, 84.440 |
Unit cell angles | 90.00, 102.95, 90.00 |
Refinement procedure
Resolution | 57.136 - 1.698 |
R-factor | 0.2003 |
Rwork | 0.199 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r3u |
RMSD bond length | 0.006 |
RMSD bond angle | 0.821 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.140 | 1.800 |
High resolution limit [Å] | 1.698 | 1.700 |
Number of reflections | 59183 | |
<I/σ(I)> | 5.1 | |
Completeness [%] | 100.0 | |
Redundancy | 64.6 | |
CC(1/2) | 0.955 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8.5 | 293 | 18-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5 |