7KC5
X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 273 |
Detector technology | CCD |
Collection date | 2016-11-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.116 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 36.514, 75.412, 133.294 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.650 - 1.860 |
R-factor | 0.1621 |
Rwork | 0.159 |
R-free | 0.21590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f74 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.216 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.650 | 1.927 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 30778 | 2994 |
<I/σ(I)> | 12.33 | 1.35 |
Completeness [%] | 96.5 | 94.93 |
Redundancy | 7.3 | |
CC(1/2) | 0.901 | 0.404 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM Tris pH 8.5, 10 mM MgSO4, 1 mM TCEP and 1 mM BMS-68852 |