4V0H
Human metallo beta lactamase domain containing protein 1 (hMBLAC1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-26 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 62.950, 67.130, 67.900 |
Unit cell angles | 109.31, 105.40, 90.17 |
Refinement procedure
Resolution | 45.958 - 1.790 |
R-factor | 0.1837 |
Rwork | 0.182 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.960 | 1.840 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.120 | 0.810 |
Number of reflections | 90649 | |
<I/σ(I)> | 12.4 | 2.6 |
Completeness [%] | 95.5 | 92.6 |
Redundancy | 6.9 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.1 M BIS-TRIS PH5.5 0.18 M AMMONIUM ACETATE 25% PEG 3350 |