3SA0
Complex of ERK2 with norathyriol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.687, 69.411, 59.721 |
Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
Resolution | 29.568 - 1.595 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tvo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.459 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.660 |
High resolution limit [Å] | 1.595 | 1.595 |
Rmerge | 0.101 | 0.802 |
Number of reflections | 49914 | |
<I/σ(I)> | 17.4 | 3.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 15.3 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Precipitant: 1.1 M - 1.3 M ammonium sulfate, 2% PEG 500 MME, 0.1 M Hepes, pH 7.5. The protein was in 80-120 mM Nacl, Tris 15 mM, pH 8.0, 10-20 mM b-ME Protein was mixed with precipitant at 1:1 ratio, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Precipitant: 1.1 M - 1.3 M ammonium sulfate, 2% PEG 500 MME, 0.1 M Hepes, pH 7.5. The protein was in 80-120 mM Nacl, Tris 15 mM, pH 8.0, 10-20 mM b-ME Protein was mixed with precipitant at 1:1 ratio, VAPOR DIFFUSION, SITTING DROP, temperature 290K |