5CGX

CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F complexed with cefoxitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-08
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	54.524, 56.588, 55.485
Unit cell angles	90.00, 99.23, 90.00

Refinement procedure

Resolution	19.643 - 1.210
R-factor	0.182
Rwork	0.181
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 5CGS
RMSD bond length	0.024
RMSD bond angle	2.378
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.676	19.676	1.280
High resolution limit [Å]	1.210	3.830	1.210
Rmerge	0.070	0.033	0.739
Total number of observations	355116	11176	48683
Number of reflections	96864
<I/σ(I)>	6.4	13.5	1.6
Completeness [%]	95.4	93.4	92.2
Redundancy	3.7	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.05M zinc acetate, 20% PEG 3350