4KXL
Crystal structure of DNPH1 (RCL) with 6-CYCLOPENTYL-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Detector technology | CCD |
| Collection date | 2010-07-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.728, 100.644, 79.681 |
| Unit cell angles | 90.00, 101.79, 90.00 |
Refinement procedure
| Resolution | 27.020 - 1.690 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fyi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.407 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.030 | 1.790 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.065 | 0.115 |
| Number of reflections | 53250 | |
| <I/σ(I)> | 5.4 | 2.6 |
| Completeness [%] | 93.9 | 75.8 |
| Redundancy | 3.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.6 | 291 | 100 MM TRIS, 1.1 AMMONIUM SULPHATE, 20MM MGSO4, PH 7.6, hanging drop, temperature 291K |
