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5W8W

Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement

Replaces:  4NQ7
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2013-06-01
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameC 1 2 1
Unit cell lengths53.603, 60.419, 69.513
Unit cell angles90.00, 93.28, 90.00
Refinement procedure
Resolution35.400 - 2.250
R-factor0.1588
Rwork0.152
R-free0.21870
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4nq4
RMSD bond length0.013
RMSD bond angle1.572
Data reduction softwareHKL-2000
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.4002.308
High resolution limit [Å]2.2502.250
Number of reflections927360
Completeness [%]87.480.11
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729820% PEG3350, 180mM K2SO4, protein at 15mg/ml in 10mM Tris-HCl pH7, 50mM NaCl, 1mM DTT, 1mM Zn2SO4, vapor diffusion, hanging drop, temperature 298K

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