2PIC

E. coli lytic transglycosylase MltA-D308A in apo-2 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 31 2 1
Unit cell lengths	80.900, 80.900, 130.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.250
R-factor	0.206
Rwork	0.203
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ae0
RMSD bond length	0.005
RMSD bond angle	1.135
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.063	0.038	0.340
Number of reflections	22884
<I/σ(I)>	21.5
Completeness [%]	93.9	98.7	66
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	0.25-0.35M NaCl, 10mM magnesium chloride, 100mM sodium acetate buffer, pH 4.2, vapor diffusion, hanging drop, temperature 298K