5TA7
Crystal structure of BuGH117Bwt
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-04 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.350, 100.300, 112.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.910 - 2.350 |
R-factor | 0.1642 |
Rwork | 0.162 |
R-free | 0.20360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ak5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.296 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.000 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.147 | 0.463 |
Number of reflections | 40335 | |
<I/σ(I)> | 11.6 | 4.2 |
Completeness [%] | 99.6 | 98.4 |
Redundancy | 7.1 | 7 |
CC(1/2) | 0.993 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1-0.18M LiSo4, 0.1M Tris-HCl, 25-30% PEG 4000 |