2NU4
Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-03-28 |
Detector | MAC Science DIP-2030 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.452, 54.689, 45.633 |
Unit cell angles | 90.00, 119.33, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
R-factor | 0.17 |
Rwork | 0.170 |
Structure solution method | MIR |
Starting model (for MR) | 3sgb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.016 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.173 | 0.359 |
Number of reflections | 19056 | |
<I/σ(I)> | 8.59 | 1.72 |
Completeness [%] | 95.9 | 70.4 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 4000, SODIUM POTASSIUM PHOSPHATE at pH 7.1 24h before data collection, crystal was transferred to PEG4000, NaKHPO4 at pH 10.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |