3ILJ
Crystal structure of E. coli HPPK(D95A) in complex with MgAMPCPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 53.030, 70.210, 36.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.272 - 1.650 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q0n |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.119 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.129 | 0.386 |
| Number of reflections | 16620 | |
| <I/σ(I)> | 5.7 | 2.2 |
| Completeness [%] | 97.7 | 90.9 |
| Redundancy | 4.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Sodium acetate, Ammonium acetate, glycerol., pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
