4LRJ
Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 77.2 |
| Detector technology | CCD |
| Collection date | 2013-01-08 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.698, 98.205, 40.774 |
| Unit cell angles | 90.00, 96.31, 90.00 |
Refinement procedure
| Resolution | 31.256 - 1.619 |
| R-factor | 0.1624 |
| Rwork | 0.160 |
| R-free | 0.18750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.997 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.8.3_1477) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
| Rmerge | 0.052 | 0.041 | 0.338 |
| Number of reflections | 41051 | ||
| <I/σ(I)> | 21.2 | ||
| Completeness [%] | 99.7 | 99.7 | 95.7 |
| Redundancy | 5.7 | 5.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100mM Tris 8.5, 20% PEG 3350, 100 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
