5TSQ
Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.660, 94.080, 123.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.655 - 1.530 |
| R-factor | 0.1542 |
| Rwork | 0.153 |
| R-free | 0.16850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.972 |
| Data reduction software | MOSFLM (7.1.1) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP (11.2.08) |
| Refinement software | PHENIX (1.11rc2_2531) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.754 | 4.840 | 1.610 |
| High resolution limit [Å] | 1.530 | 3.420 | 1.530 |
| Rmerge | 0.047 | 0.431 | |
| Number of reflections | 64501 | ||
| <I/σ(I)> | 6.9 | 10.9 | 0.7 |
| Completeness [%] | 98.5 | 100 | 90.8 |
| Redundancy | 4.3 | 5.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2M Ammonium acetate, 0.1M HEPES pH 7.5 and 45% MPD |
