7PDO

Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96112
Spacegroup name	I 41
Unit cell lengths	101.338, 101.338, 122.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.570 - 1.970
R-factor	0.1829
Rwork	0.182
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p8g
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.059	0.881
Rmeas	0.064	0.957
Rpim	0.024	0.371
Number of reflections	43448	4232
<I/σ(I)>	17.1	1.7
Completeness [%]	99.6	99
Redundancy	6.9	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M Bis-Tris pH 5.5; 3 M NaCl