4Y6U
Mycobacterial protein
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 | 2013-05-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | I 41 |
Unit cell lengths | 99.280, 99.280, 128.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.202 - 2.271 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dec |
RMSD bond length | 0.013 |
RMSD bond angle | 1.384 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.200 | 2.352 |
High resolution limit [Å] | 2.271 | 2.271 |
Rmerge | 0.061 | 0.479 |
Number of reflections | 52965 | |
<I/σ(I)> | 10.68 | |
Completeness [%] | 99.3 | 98.78 |
Redundancy | 4.8 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 14% PEG 8000, 0.3-0.5 M Li sulfate |