4HWG
Structure of UDP-N-acetylglucosamine 2-epimerase from Rickettsia bellii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 146.710, 146.710, 106.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.800 - 2.000 |
| R-factor | 0.1499 |
| Rwork | 0.148 |
| R-free | 0.18220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3beo modified with ccp4 program CHAINSAW |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.499 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.084 | 0.030 | 0.490 |
| Number of reflections | 29671 | 362 | 2189 |
| <I/σ(I)> | 17.75 | 52.39 | 4.18 |
| Completeness [%] | 99.8 | 96.8 | 100 |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Emerald Bio JCSG+ D5: 1.6M Na/K phosphate, 100mM HEPES pH 7.5, RibeA.00061.a.B1.PW36203 29.7mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
