4AC3
S.pneumoniae GlmU in complex with an antibacterial inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2006-02-14 |
Detector | RIGAKU CCD |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 117.090, 117.090, 116.619 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.2347 |
Rwork | 0.233 |
R-free | 0.26968 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g97 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.036 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.300 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.110 | 0.290 |
Number of reflections | 54029 | |
<I/σ(I)> | 8.1 | 3.4 |
Completeness [%] | 99.4 | 97.6 |
Redundancy | 5.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 18-23% PEG 3350, 0.2M AMMONIUM SULPHATE, 25 MM TRIS-HCL, PH 7.5, 50MM NACL, 2MM TCEP |