3VEW
Crystal structure of the O-carbamoyltransferase TobZ in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-10-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 98.022, 98.022, 280.697 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.275 - 2.352 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ven |
RMSD bond length | 0.008 |
RMSD bond angle | 1.102 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.450 |
High resolution limit [Å] | 2.350 | 20.000 | 2.350 |
Rmerge | 0.068 | 0.015 | 0.536 |
Number of reflections | 33813 | 46 | 3770 |
<I/σ(I)> | 20.08 | 80.7 | 2.23 |
Completeness [%] | 98.7 | 82.1 | 95.6 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 1.6 M sodium potassium tartrate, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |