3HSG
Crystal structure of E. coli HPPK(Y53A) 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 | 1999-10-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.940, 48.020, 74.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.348 - 1.140 |
| R-factor | 0.147 |
| Rwork | 0.147 |
| R-free | 0.17700 |
| 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] | 37.100 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.074 | 0.733 |
| Number of reflections | 46812 | |
| <I/σ(I)> | 19.386 | 1.6 |
| Completeness [%] | 98.0 | 97.5 |
| Redundancy | 5.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Ammonium acetate, Sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
