5ZEA
Crystal structure of the nucleotide-free mutant A3B3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 180.840, 107.770, 193.370 |
Unit cell angles | 90.00, 99.39, 90.00 |
Refinement procedure
Resolution | 48.199 - 3.384 |
R-factor | 0.2172 |
Rwork | 0.215 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vr2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.435 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.199 | 48.199 | 3.590 |
High resolution limit [Å] | 3.380 | 9.960 | 3.380 |
Rmerge | 0.113 | 0.031 | 0.674 |
Rmeas | 0.123 | 0.033 | 0.733 |
Total number of observations | 683871 | ||
Number of reflections | 101833 | 4153 | 15538 |
<I/σ(I)> | 15.77 | 49.43 | 2.9 |
Completeness [%] | 99.0 | 98.4 | 94.2 |
Redundancy | 6.716 | 6.058 | 6.373 |
CC(1/2) | 0.998 | 0.999 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 28% PEG 3350, 0.1 M Bis-Tris propane pH 6.5, 0.1 M NaCl, 0.1 M Ammonium acetate |