6PHE

Crystal structure of Methylglyoxal synthase from Elizabethkingia anophelis NUHP1

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	2018-03-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	167.590, 167.590, 159.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.610 - 2.100
R-factor	0.1481
Rwork	0.147
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vmd
RMSD bond length	0.007
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((dev_3500))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.610	48.610	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.101	0.025	0.559
Rmeas	0.107	0.026	0.588
Total number of observations	1321165
Number of reflections	132174	1627	9643
<I/σ(I)>	19.3	52.24	4.5
Completeness [%]	99.9	95.6	100
Redundancy	9.996	8.693	10.042
CC(1/2)	0.999	1.000	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Rigaku Reagents JCSG+ screen, condition a11: 50% (V/V) MPD, 200mM ammonium phosphate monobasic, Tris base / HCl pH 8.5. ElanA.00692.a.B1.PS38386 at 18.2mg/ml: cryo: direct: tray: 2978372 a11: puck vsf3-5