6NBS
WT ERK2 with compound 2507-8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 446.15 |
| Detector technology | CCD |
| Collection date | 2016-10-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.895, 71.242, 60.167 |
| Unit cell angles | 90.00, 109.37, 90.00 |
Refinement procedure
| Resolution | 38.720 - 1.900 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ERK |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.822 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.720 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.076 | 0.565 |
| Number of reflections | 30765 | |
| <I/σ(I)> | 35.057 | 5.015 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.5 | 4.5 |
| CC(1/2) | 0.607 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 33% PEG 5,000 MME, 0.25 M ammonium sulfate, 0.1 M MES, pH 6.5 |
