4S12

1.55 Angstrom Crystal Structure of N-acetylmuramic acid 6-phosphate Etherase from Yersinia enterocolitica.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	188.287, 81.734, 58.848
Unit cell angles	90.00, 103.21, 90.00

Refinement procedure

Resolution	29.950 - 1.550
R-factor	0.14467
Rwork	0.143
R-free	0.17002
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lzj
RMSD bond length	0.011
RMSD bond angle	1.478
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.081	0.505
Number of reflections	125532
<I/σ(I)>	15.2	2.8
Completeness [%]	100.0	100
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	Protein: 7.6 mg/ml, 0.1 M Sodium chloride, 0.01 M Tris-HCL buffer pH(8.3), 5mM BME, Screen: JCSG+ (H7), 0.24M Ammonium sulfate, 0.1M Bis-Tris (pH 5.5), 25%(w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K