2VVT
Glutamate Racemase (MurI) from E. faecalis in complex with a 9-Benzyl Purine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-11 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.402, 69.432, 165.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.650 - 1.650 |
R-factor | 0.152 |
Rwork | 0.150 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jfo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.461 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.650 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.080 | 0.130 |
Number of reflections | 205055 | |
<I/σ(I)> | 4.6 | 5.1 |
Completeness [%] | 96.1 | 99.9 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | PROTEIN FORMULATED AT 10 MG/ML WITH 200MM AMMONIUM ACETATE PH 7.4, 5MM D-L GLUTAMATE, 1 MM TCEP AND CRYSTALLISED WITH 0.2 MM MGCL2 AND 20-25% PEG 3350, 100 MM TRIS PH 7.5, 20% GLYCEROL |