5UM0

Crystal structure of 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-30
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	71.580, 73.030, 96.930
Unit cell angles	90.00, 97.60, 90.00

Refinement procedure

Resolution	42.500 - 1.850
R-factor	0.1669
Rwork	0.166
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gp3-A
RMSD bond length	0.006
RMSD bond angle	0.774
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.500	42.471	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.065	0.044	0.356
Rmeas	0.071	0.047	0.435
Number of reflections	84511	1005	6213
<I/σ(I)>	14.12	32.33	2.45
Completeness [%]	99.8	98.9	99.4
Redundancy	5.116	6.854	3.074
CC(1/2)	0.998	0.997	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Microlytics MCSG1 screen, condition: E10: 20% ammonium tartrate, 20% PEG 3350: NegoA.01013.a.B1.PS38022 at 14.0mg/ml: cryo: 20% EG: tray: 284241 e10: puck: qsy1-3.