4ZAS

Crystal structure of sugar aminotransferase CalS13 from Micromonospora echinospora

Replaces:  4YTJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	71.570, 88.740, 189.810
Unit cell angles	90.00, 96.22, 90.00

Refinement procedure

Resolution	43.192 - 2.470
R-factor	0.1742
Rwork	0.173
R-free	0.22900
RMSD bond length	0.008
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1951))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.100
High resolution limit [Å]	2.470	8.900	2.040
Rmerge	0.117	0.041	2.336
Rmeas	0.269	0.046	3.168
Total number of observations	1022296
Number of reflections	84933	3469	13209
<I/σ(I)>	11.61	29.31	0.24
Completeness [%]	100.0	97.3	57.4
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	200 mM ammonium sulfate, 100 mM Bis-Tris, pH 6.5, 25% w/v PEG 3350