5TWD

CTX-M-14 P167S apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	293
Detector technology	CCD
Collection date	2015-08-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 32 2 1
Unit cell lengths	41.600, 41.600, 231.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.601 - 1.700
R-factor	0.2094
Rwork	0.208
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.006
RMSD bond angle	0.786
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.1)
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.601	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.053	0.651
Rmeas	0.068	0.724
Rpim	0.021	0.303
Total number of observations	692102	16338
Number of reflections	66171
<I/σ(I)>	18.2	2.3
Completeness [%]	99.8	100
Redundancy	10.5	12.5
CC(1/2)	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M magnesium chloride, 0.1M TRIS pH 8.0, 20% (w/v) PEG 6000