4E1K
GlmU in complex with a Quinazoline Compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2008-10-05 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | H 3 2 |
Unit cell lengths | 109.028, 109.028, 323.602 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.550 - 2.000 |
R-factor | 0.24662 |
Rwork | 0.245 |
R-free | 0.28363 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.101 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.400 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.320 | |
Number of reflections | 46480 | |
<I/σ(I)> | 1.8 | |
Completeness [%] | 92.4 | 62 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 296 | 1.6-1.8 M ammonium sulfate and 0.1 M MES pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 296K |