6X3B
Structure of RMD from Pseudomonas aeruginosa complexed with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-21 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.680, 54.050, 137.920 |
| Unit cell angles | 90.00, 107.70, 90.00 |
Refinement procedure
| Resolution | 34.028 - 1.910 |
| R-factor | 0.1885 |
| Rwork | 0.187 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pk3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.845 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.1.26) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.030 | 34.030 | 1.940 |
| High resolution limit [Å] | 1.910 | 10.460 | 1.910 |
| Rmerge | 0.100 | 0.032 | 0.921 |
| Rmeas | 0.111 | 0.037 | 1.027 |
| Rpim | 0.049 | 0.017 | 0.451 |
| Total number of observations | 534372 | 2988 | 26106 |
| Number of reflections | 105890 | 688 | 5178 |
| <I/σ(I)> | 8.5 | 22.1 | 1.6 |
| Completeness [%] | 99.1 | 96 | 98.5 |
| Redundancy | 5 | 4.3 | 5 |
| CC(1/2) | 0.997 | 0.997 | 0.666 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 10% PEG 3350, 100 mM lithium nitrate, 10 mM HEPES, 25 mM NaCl |
